| 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 | 61.9 | Low | 81.2 | Confident | 247 Ų | 247 | 157.3 Ų | 157.3 | 100% | 1.217 | 88% | 0.876 | S | S | * | * | 0 | 126.3 | 0 | -59.8 | -166.3 | -155.2 | 0 | 0 | 107.8 | |||||
| 2 | A | 68.9 | Low | 81.8 | Confident | 106 Ų | 106 | 157.4 Ų | 157.4 | 88% | 0.876 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 126.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 3 | A | 76.7 | Confident | 82.2 | Confident | 92 Ų | 92 | 153.8 Ų | 153.8 | 76% | 0.76 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 136.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R5 | A3-R5 PolarHBondContact O-N 3.29Š|
| 4 | S | 78.1 | Confident | 81.3 | Confident | 121 Ų | 121 | 157.8 Ų | 157.8 | 85% | 0.846 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 118.4 | 175.7 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 5 | R | 81.7 | Confident | 79.9 | Confident | 234 Ų | 234 | 155.5 Ų | 155.5 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 134 | 175 | -61.4 | -176.5 | -177.2 | -172.8 | 1 | 109.6 | A3 I7 | A3-R5 PolarHBondContact O-N 3.29Å; R5-I7 PolarHBondContact O-N 3.34Å |
| 6 | L | 80 | Confident | 78.5 | Confident | 168 Ų | 168 | 152.4 Ų | 152.4 | 88% | 0.88 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 122.4 | 171.9 | -74.9 | 158.8 | 0 | 0 | 0 | 109.8 | ||
| 7 | I | 85.1 | Confident | 77.1 | Confident | 171 Ų | 171 | 147.5 Ų | 147.5 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 122.1 | 177.1 | -56.6 | 172.8 | 0 | 0 | 0 | 108.1 | R5 | R5-I7 PolarHBondContact O-N 3.34Š|
| 8 | K | 87.3 | Confident | 75.5 | Confident | 193 Ų | 193 | 146.3 Ų | 146.3 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 134.6 | 173.1 | -61 | 172.4 | -177.7 | 179 | 0 | 108.7 | ||
| 9 | G | 90.1 | Very high | 74 | Confident | 78 Ų | 78 | 142.3 Ų | 142.3 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 162.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 10 | I | 91.4 | Very high | 72.4 | Confident | 150 Ų | 150 | 143.1 Ų | 143.1 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -110.7 | -4 | -177.6 | 62.4 | 168.8 | 0 | 0 | 0 | 114.9 | K12 | I10-K12 PolarHBondContact O-N 3.23Š| ||
| 11 | L | 91.8 | Very high | 70.9 | Confident | 170 Ų | 170 | 146.1 Ų | 146.1 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -66.2 | 120.6 | 178.3 | -176.2 | 64.9 | 0 | 0 | 0 | 109.8 | ||||
| 12 | K | 88.4 | Confident | 69.9 | Low | 159 Ų | 159 | 141.1 Ų | 141.1 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -122.9 | 121.2 | 178.8 | -64.4 | 146.9 | -177.4 | 173.4 | 0 | 108 | I10 | I10-K12 PolarHBondContact O-N 3.23Š| ||
| 13 | N | 86.8 | Confident | 68.1 | Low | 111 Ų | 111 | 139.3 Ų | 139.3 | 59% | 0.594 | 79% | 0.792 | S | S | * | * | trans | -99.4 | 126.2 | 169.3 | 54.9 | -10.2 | 0 | 0 | 0 | 109.3 | N15 | N13-N15 VanDerWaalsContact C-N 3.29Å; N13-N15 PolarHBondContact O-N 3.11Å | ||
| 14 | K | 70 | Confident | 66.6 | Low | 209 Ų | 209 | 140.8 Ų | 140.8 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -88.1 | 11.8 | -178.8 | -72.4 | 175.5 | 77.1 | 174.7 | 0 | 113.5 | ||
| 15 | N | 61.1 | Low | 64.4 | Low | 123 Ų | 123 | 140 Ų | 140 | 66% | 0.658 | 79% | 0.789 | S | S | * | * | trans | -134.2 | 16.3 | -167.2 | 47.9 | 27.6 | 0 | 0 | 0 | 115.9 | N13 G17 | N13-N15 VanDerWaalsContact C-N 3.29Å; N13-N15 PolarHBondContact O-N 3.11Å; N15-G17 PolarHBondContact O-N 2.77Å | ||
| 16 | S | 57.2 | Low | 62.2 | Low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 33.4 | 173.3 | 85.9 | 0 | 0 | 0 | 0 | 114 | ||
| 17 | G | 55 | Low | 60.1 | Low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | -3.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | N15 | N15-G17 PolarHBondContact O-N 2.77Š|
| 18 | T | 47.9 | Very low | 57.9 | Low | 125 Ų | 125 | 133.9 Ų | 133.9 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -123.1 | 90.8 | 176.8 | 28.2 | 0 | 0 | 0 | 0 | 108.9 | I20 | T18-I20 PolarHBondContact O-N 2.74Š| ||
| 19 | G | 45.9 | Very low | 55.7 | Low | 70 Ų | 70 | 130.5 Ų | 130.5 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -53.9 | 120.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | K21 | G19-K21 PolarHBondContact O-N 2.68Š| ||
| 20 | I | 43 | Very low | 53.4 | Low | 159 Ų | 159 | 132.8 Ų | 132.8 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | trans | -57.1 | 103.9 | 168.8 | -67.6 | 159.4 | 0 | 0 | 0 | 107 | T18 V22 | T18-I20 PolarHBondContact O-N 2.74Å; I20-V22 HydrophobicContact CG2-CG2 3.94Å | ||
| 21 | K | 40.8 | Very low | 50.6 | Low | 206 Ų | 206 | 134.9 Ų | 134.9 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | trans | -99.1 | 113.5 | 161.3 | -64.1 | -170.5 | -176.7 | -178.7 | 0 | 106.5 | G19 | G19-K21 PolarHBondContact O-N 2.68Š| ||
| 22 | V | 40.2 | Very low | 47.9 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -77.9 | 131.1 | 178.6 | -165.1 | 0 | 0 | 0 | 0 | 108.5 | I20 | I20-V22 HydrophobicContact CG2-CG2 3.94Š| ||
| 23 | G | 31.9 | Very low | 45.2 | Very low | 69 Ų | 69 | 130.9 Ų | 130.9 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 156.4 | 146 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 24 | P | 44 | Very low | 43 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -113.7 | 166.6 | -134.9 | 40.7 | -31.8 | 0 | 0 | 0 | 116.1 | ||||
| 25 | S | 32.8 | Very low | 41.6 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | 80.6 | 123.5 | 151.3 | -52.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 26 | E | 35.5 | Very low | 40.3 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | trans | 92.2 | 133.6 | 134.1 | -101.7 | 178.6 | 172 | 0 | 0 | 122 | ||||
| 27 | E | 35.3 | Very low | 39.1 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | trans | 65.8 | 121.3 | 160.4 | -26.7 | -59.7 | 175.8 | 0 | 0 | 122.4 | ||||
| 28 | V | 38.7 | Very low | 38.4 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -58.7 | 152.9 | 159.3 | -89.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 29 | P | 42.3 | Very low | 37.7 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | -151.6 | 150.3 | 83.6 | 33.5 | -10.7 | 0 | 0 | 0 | 118.7 | |||||
| 30 | V | 41.1 | Very low | 37.5 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | -14.9 | 132.5 | 150.5 | -177.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 31 | E | 32.6 | Very low | 37.7 | Very low | 194 Ų | 194 | 138.2 Ų | 138.2 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | trans | -151.9 | 132.4 | 135.4 | -119.2 | -176.4 | -173.8 | 0 | 0 | 113.1 | ||||
| 32 | T | 34.9 | Very low | 37.9 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -63.2 | 140.8 | -179.2 | 34.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 33 | S | 32.7 | Very low | 38.7 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -151.7 | 71 | 143.4 | -153.6 | 0 | 0 | 0 | 0 | 109.5 | Q35 | S33-Q35 PolarHBondContact O-N 2.88Š| ||
| 34 | E | 40.5 | Very low | 39.8 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | -78.4 | 106.7 | 155.3 | -74.1 | -172.1 | 141.5 | 0 | 0 | 106.7 | ||||
| 35 | Q | 40.3 | Very low | 40.4 | Very low | 193 Ų | 193 | 134 Ų | 134 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | 173.4 | 88.5 | 144.1 | -94.9 | 164.8 | 23.1 | 0 | 0 | 110.6 | S33 | S33-Q35 PolarHBondContact O-N 2.88Š| ||
| 36 | A | 32.5 | Very low | 41.9 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -161.2 | 86.4 | 144.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 37 | A | 33.8 | Very low | 43.9 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | 81.3 | 122.5 | 101.1 | 0 | 0 | 0 | 0 | 0 | 111 | G39 | A37-G39 PolarHBondContact O-N 2.62Š| |||
| 38 | L | 39.5 | Very low | 46.3 | Very low | 190 Ų | 190 | 138 Ų | 138 | 100% | 0.995 | 77% | 0.768 | S | S | * | * | trans | -53.9 | 75.7 | 170.8 | -63.3 | 165.3 | 0 | 0 | 0 | 110.9 | ||||
| 39 | G | 32.9 | Very low | 48.7 | Very low | 58 Ų | 58 | 135.1 Ų | 135.1 | 60% | 0.598 | 75% | 0.754 | S | S | * | * | trans | -93.9 | 118.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | A37 L41 | A37-G39 PolarHBondContact O-N 2.62Å; G39-L41 PolarHBondContact O-N 2.91Å | ||
| 40 | L | 41.1 | Very low | 51.2 | Low | 151 Ų | 151 | 136.8 Ų | 136.8 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 5.8 | 112.3 | 141.6 | -174.7 | 71.3 | 0 | 0 | 0 | 111.1 | E42 | L40-E42 PolarHBondContact O-N 3.48Š| ||
| 41 | L | 47.8 | Very low | 53.8 | Low | 161 Ų | 161 | 139.2 Ų | 139.2 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | -54.8 | 94.4 | 165.2 | -176.7 | 81 | 0 | 0 | 0 | 104.7 | G39 D43 | G39-L41 PolarHBondContact O-N 2.91Å; L41-D43 VanDerWaalsContact C-N 3.34Å; L41-D43 PolarHBondContact O-N 3.29Å | ||
| 42 | E | 44.6 | Very low | 56.8 | Low | 162 Ų | 162 | 138.8 Ų | 138.8 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | trans | -55.7 | 113.1 | 173.6 | -75.7 | -165.8 | 151.4 | 0 | 0 | 102.7 | L40 D44 | L40-E42 PolarHBondContact O-N 3.48Å; E42-D44 PolarHBondContact O-N 2.94Å | ||
| 43 | D | 58.5 | Low | 59.7 | Low | 110 Ų | 110 | 138 Ų | 138 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | trans | -59.4 | 92.7 | 170.9 | -149 | 12.8 | 0 | 0 | 0 | 102.9 | L41 P45 | L41-D43 VanDerWaalsContact C-N 3.34Å; L41-D43 PolarHBondContact O-N 3.29Å; D43-P45 WeakPolarHBondContact O-CA 3.5Å; D43-P45 WeakPolarHBondContact O-CD 3.19Å | ||
| 44 | D | 54.8 | Low | 62.6 | Low | 50 Ų | 50 | 138 Ų | 138 | 27% | 0.267 | 72% | 0.719 | S | S | . | * | trans | -46 | 109.8 | -179.6 | -179.1 | -8.6 | 0 | 0 | 0 | 104.3 | E42 Q46 K47 | E42-D44 PolarHBondContact O-N 2.94Å; D44-Q46 PolarHBondContact O-N 3.38Å; D44-K47 HydrophobicContact CB-CB 4.3Å; D44-K47 HydrophobicContact CB-CD 3.86Å; D44-K47 HydrophobicContact CB-CG 3.95Å; D44-K47 PolarHBondContact O-N 2.93Å; D44-K47 WeakPolarHBondContact OD2-CE 3.5Å; D44-K47 IonicContact OD2-NZ 2.75Å; D44-K47 PolarHBondContact OD2-NZ 3.12Å | ||
| 45 | P | 57.1 | Low | 65 | Low | 129 Ų | 129 | 136 Ų | 136 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -4.7 | -164.6 | 21.8 | -32.3 | 0 | 0 | 0 | 112 | D43 | D43-P45 WeakPolarHBondContact O-CA 3.5Å; D43-P45 WeakPolarHBondContact O-CD 3.19Å |
| 46 | Q | 63.5 | Low | 67.4 | Low | 175 Ų | 175 | 131 Ų | 131 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -14.2 | 175.2 | -58.6 | 170.4 | -11.4 | 0 | 0 | 113 | D44 | D44-Q46 PolarHBondContact O-N 3.38Š|
| 47 | K | 76.4 | Confident | 70.1 | Confident | 136 Ų | 136 | 129.9 Ų | 129.9 | 59% | 0.591 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -97.2 | 112 | 174.7 | -65.1 | -179.8 | -172.3 | 126.2 | 0 | 109.1 | D44 S49 | D44-K47 HydrophobicContact CB-CB 4.3Å; D44-K47 HydrophobicContact CB-CD 3.86Å; D44-K47 HydrophobicContact CB-CG 3.95Å; D44-K47 PolarHBondContact O-N 2.93Å; D44-K47 WeakPolarHBondContact OD2-CE 3.5Å; D44-K47 IonicContact OD2-NZ 2.75Å; D44-K47 PolarHBondContact OD2-NZ 3.12Å; K47-S49 PolarHBondContact O-N 3.1Å |
| 48 | K | 86.4 | Confident | 72.5 | Confident | 191 Ų | 191 | 130.8 Ų | 130.8 | 83% | 0.83 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 127.7 | 166.3 | 49.9 | 176.5 | -175.7 | 164 | 0 | 109.8 | ||
| 49 | S | 88.8 | Confident | 74.8 | Confident | 70 Ų | 70 | 125.7 Ų | 125.7 | 49% | 0.49 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -81.4 | 155.6 | 168.4 | 76.5 | 0 | 0 | 0 | 0 | 111 | K47 | K47-S49 PolarHBondContact O-N 3.1Š|
| 50 | Q | 94.9 | Very high | 77.3 | Confident | 158 Ų | 158 | 128 Ų | 128 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 134.1 | 172.1 | 178.3 | 167.8 | -19.6 | 0 | 0 | 109.2 | ||
| 51 | K | 95.4 | Very high | 79 | Confident | 177 Ų | 177 | 127.4 Ų | 127.4 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | trans | -133.5 | 146.5 | 177.2 | -57.7 | -178.3 | 70.8 | 177 | 0 | 108.8 | ||||
| 52 | W | 95.8 | Very high | 80.1 | Confident | 186 Ų | 186 | 124.1 Ų | 124.1 | 71% | 0.705 | 62% | 0.617 | S | S | * | * | trans | -90.4 | 151.9 | 174.6 | -61.9 | 109.4 | 0 | 0 | 0 | 110.9 | E54 | W52-E54 PolarHBondContact O-N 3.49Š| ||
| 53 | D | 96.6 | Very high | 81.2 | Confident | 103 Ų | 103 | 120.5 Ų | 120.5 | 55% | 0.551 | 61% | 0.608 | S | S | * | * | trans | -91.7 | 93.4 | 171.7 | 179.9 | 2.7 | 0 | 0 | 0 | 108.7 | M55 N56 I57 | D53-M55 PolarHBondContact O-N 3.02Å; D53-M55 VanDerWaalsContact O-N 3.11Å; D53-M55 WeakPolarHBondContact OD1-CB 3.23Å; D53-M55 PolarHBondContact OD1-N 3.36Å; D53-N56 HydrophobicContact CB-CB 3.91Å; D53-N56 WeakPolarHBondContact O-CA 3.4Å; D53-N56 WeakPolarHBondContact O-CB 3.3Å; D53-N56 PolarHBondContact O-N 3.43Å; D53-N56 PolarHBondContact OD1-N 3.37Å; D53-I57 WeakPolarHBondContact O-CG1 3.36Å; D53-I57 PolarHBondContact O-N 3.18Å | ||
| 54 | E | 92.4 | Very high | 81.2 | Confident | 124 Ų | 124 | 122.4 Ų | 122.4 | 58% | 0.579 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -56.4 | -30.1 | -176.5 | -54.7 | -56.6 | 159.7 | 0 | 0 | 112.7 | W52 I57 L58 | W52-E54 PolarHBondContact O-N 3.49Å; E54-I57 PolarHBondContact O-N 2.7Å; E54-L58 WeakPolarHBondContact O-CB 3.24Å; E54-L58 VanDerWaalsContact O-CG 3.24Å; E54-L58 WeakPolarHBondContact O-CG 3.45Å; E54-L58 PolarHBondContact O-N 2.9Å |
| 55 | M | 92.3 | Very high | 81.4 | Confident | 138 Ų | 138 | 127.6 Ų | 127.6 | 68% | 0.68 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.4 | -35.9 | 176.4 | -168.9 | 64.4 | 62.7 | 0 | 0 | 111.6 | D53 A59 | D53-M55 PolarHBondContact O-N 3.02Å; D53-M55 VanDerWaalsContact O-N 3.11Å; D53-M55 WeakPolarHBondContact OD1-CB 3.23Å; D53-M55 PolarHBondContact OD1-N 3.36Å; M55-A59 VanDerWaalsContact O-CB 3.23Å; M55-A59 WeakPolarHBondContact O-CB 3.41Å; M55-A59 PolarHBondContact O-N 3.12Å |
| 56 | N | 90.6 | Very high | 81.6 | Confident | 89 Ų | 89 | 126.7 Ų | 126.7 | 48% | 0.476 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.3 | -42.4 | 173.4 | 179.9 | -110 | 0 | 0 | 0 | 111.4 | D53 A59 T60 | D53-N56 HydrophobicContact CB-CB 3.91Å; D53-N56 WeakPolarHBondContact O-CA 3.4Å; D53-N56 WeakPolarHBondContact O-CB 3.3Å; D53-N56 PolarHBondContact O-N 3.43Å; D53-N56 PolarHBondContact OD1-N 3.37Å; N56-A59 PolarHBondContact O-N 3.14Å; N56-T60 PolarHBondContact O-N 2.75Å; N56-T60 VanDerWaalsContact O-N 3.1Å; N56-T60 PolarHBondContact O-OG1 3.3Å; N56-T60 VanDerWaalsContact O-OG1 3.12Å |
| 57 | I | 88.8 | Confident | 81.3 | Confident | 72 Ų | 72 | 123.4 Ų | 123.4 | 37% | 0.369 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -58.1 | -52.6 | 175.7 | -57.6 | -53.5 | 0 | 0 | 0 | 109.7 | D53 E54 A59 T60 Y61 | D53-I57 WeakPolarHBondContact O-CG1 3.36Å; D53-I57 PolarHBondContact O-N 3.18Å; E54-I57 PolarHBondContact O-N 2.7Å; I57-A59 VanDerWaalsContact C-N 3.34Å; I57-A59 PolarHBondContact O-N 3.28Å; I57-T60 CarbonylContact O-C 3.45Å; I57-T60 PolarHBondContact O-N 3.41Å; I57-T60 VanDerWaalsContact O-N 3.14Å; I57-T60 PolarHBondContact O-OG1 3.36Å; I57-T60 VanDerWaalsContact O-OG1 3.12Å; I57-Y61 WeakPolarHBondContact O-CB 3.49Å; I57-Y61 PolarHBondContact O-N 2.95Å |
| 58 | L | 84.9 | Confident | 80.4 | Confident | 116 Ų | 116 | 119.6 Ų | 119.6 | 61% | 0.607 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60 | -39.3 | 177.5 | -71.7 | 171.3 | 0 | 0 | 0 | 113.2 | E54 T60 Y61 | E54-L58 WeakPolarHBondContact O-CB 3.24Å; E54-L58 VanDerWaalsContact O-CG 3.24Å; E54-L58 WeakPolarHBondContact O-CG 3.45Å; E54-L58 PolarHBondContact O-N 2.9Å; L58-T60 PolarHBondContact O-N 2.94Å; L58-Y61 VanDerWaalsContact O-CB 3.3Å; L58-Y61 WeakPolarHBondContact O-CB 3.14Å; L58-Y61 PolarHBondContact O-N 2.84Å |
| 59 | A | 86.5 | Confident | 79.3 | Confident | 83 Ų | 83 | 112 Ų | 112 | 69% | 0.686 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.8 | -28.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | M55 N56 I57 | M55-A59 VanDerWaalsContact O-CB 3.23Å; M55-A59 WeakPolarHBondContact O-CB 3.41Å; M55-A59 PolarHBondContact O-N 3.12Å; N56-A59 PolarHBondContact O-N 3.14Å; I57-A59 VanDerWaalsContact C-N 3.34Å; I57-A59 PolarHBondContact O-N 3.28Å |
| 60 | T | 85.8 | Confident | 77.8 | Confident | 108 Ų | 108 | 113.7 Ų | 113.7 | 66% | 0.663 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -98.5 | -1.8 | 174.6 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | N56 I57 L58 | N56-T60 PolarHBondContact O-N 2.75Å; N56-T60 VanDerWaalsContact O-N 3.1Å; N56-T60 PolarHBondContact O-OG1 3.3Å; N56-T60 VanDerWaalsContact O-OG1 3.12Å; I57-T60 CarbonylContact O-C 3.45Å; I57-T60 PolarHBondContact O-N 3.41Å; I57-T60 VanDerWaalsContact O-N 3.14Å; I57-T60 PolarHBondContact O-OG1 3.36Å; I57-T60 VanDerWaalsContact O-OG1 3.12Å; L58-T60 PolarHBondContact O-N 2.94Å |
| 61 | Y | 77.1 | Confident | 76.2 | Confident | 138 Ų | 138 | 114 Ų | 114 | 54% | 0.541 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -70.2 | 162.7 | 174.6 | -162.6 | -113.7 | 0 | 0 | 0 | 110 | I57 L58 | I57-Y61 WeakPolarHBondContact O-CB 3.49Å; I57-Y61 PolarHBondContact O-N 2.95Å; L58-Y61 VanDerWaalsContact O-CB 3.3Å; L58-Y61 WeakPolarHBondContact O-CB 3.14Å; L58-Y61 PolarHBondContact O-N 2.84Å |
| 62 | H | 71.1 | Confident | 74.9 | Confident | 91 Ų | 91 | 114.5 Ų | 114.5 | 42% | 0.421 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -50.5 | 151 | -162.2 | -55.5 | 106.4 | 0 | 0 | 0 | 115.4 | Y68 | H62-Y68 HydrophobicContact CB-CD2 3.85Å; H62-Y68 HydrophobicContact CB-CE2 3.94Å; H62-Y68 AromaticContact CD2-CD2 3.58Å; H62-Y68 AromaticContact CD2-CE2 3.37Å; H62-Y68 WeakPolarHBondContact CD2-CE2 3.37Å; H62-Y68 AromaticContact CE1-CD2 3.94Å; H62-Y68 AromaticContact CG-CD2 3.42Å; H62-Y68 VanDerWaalsContact CG-CD2 3.42Å; H62-Y68 AromaticContact CG-CE2 3.6Å; H62-Y68 AromaticContact ND1-CD2 3.67Å; H62-Y68 AromaticContact NE2-CD2 3.93Å; H62-Y68 AromaticContact NE2-CE2 3.97Å |
| 63 | P | 68.3 | Low | 73.3 | Confident | 86 Ų | 86 | 111.5 Ų | 111.5 | 56% | 0.558 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 147.9 | 176.9 | -20.1 | 30.4 | 0 | 0 | 0 | 112.1 | D65 K66 | P63-D65 PolarHBondContact O-N 2.96Å; P63-K66 PolarHBondContact O-N 3.31Å |
| 64 | V | 58.8 | Low | 72.1 | Confident | 150 Ų | 150 | 114.5 Ų | 114.5 | 91% | 0.909 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -25.2 | -173.9 | -154.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 65 | D | 57.8 | Low | 71.4 | Confident | 159 Ų | 159 | 115.6 Ų | 115.6 | 85% | 0.85 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 5.2 | -178.1 | -55.7 | -30 | 0 | 0 | 0 | 113.5 | P63 | P63-D65 PolarHBondContact O-N 2.96Š|
| 66 | K | 62.3 | Low | 70.5 | Confident | 111 Ų | 111 | 114.5 Ų | 114.5 | 48% | 0.483 | 61% | 0.608 | S | S | . | * | trans | -131.6 | 88.9 | 179.7 | -67.2 | -171.4 | 179.8 | -172.3 | 0 | 110.1 | P63 Y68 | P63-K66 PolarHBondContact O-N 3.31Å; K66-Y68 HydrophobicContact CB-CD2 4.21Å; K66-Y68 HydrophobicContact CB-CE2 3.8Å; K66-Y68 HydrophobicContact CD-CE2 4.23Å; K66-Y68 PolarHBondContact O-N 3.45Å | ||
| 67 | D | 56.8 | Low | 69.8 | Low | 106 Ų | 106 | 114.6 Ų | 114.6 | 57% | 0.567 | 62% | 0.616 | S | S | * | * | trans | -84.9 | 90.8 | 167.6 | -167.7 | 16.4 | 0 | 0 | 0 | 108.3 | G69 | D67-G69 PolarHBondContact O-N 2.97Š| ||
| 68 | Y | 57.7 | Low | 69 | Low | 55 Ų | 55 | 115.3 Ų | 115.3 | 22% | 0.216 | 62% | 0.624 | C | S | . | * | S | Bend | trans | -63 | 104.8 | 173.1 | -72.4 | -87.1 | 0 | 0 | 0 | 108.1 | H62 K66 L131 D135 | H62-Y68 HydrophobicContact CB-CD2 3.85Å; H62-Y68 HydrophobicContact CB-CE2 3.94Å; H62-Y68 AromaticContact CD2-CD2 3.58Å; H62-Y68 AromaticContact CD2-CE2 3.37Å; H62-Y68 WeakPolarHBondContact CD2-CE2 3.37Å; H62-Y68 AromaticContact CE1-CD2 3.94Å; H62-Y68 AromaticContact CG-CD2 3.42Å; H62-Y68 VanDerWaalsContact CG-CD2 3.42Å; H62-Y68 AromaticContact CG-CE2 3.6Å; H62-Y68 AromaticContact ND1-CD2 3.67Å; H62-Y68 AromaticContact NE2-CD2 3.93Å; H62-Y68 AromaticContact NE2-CE2 3.97Å; K66-Y68 HydrophobicContact CB-CD2 4.21Å; K66-Y68 HydrophobicContact CB-CE2 3.8Å; K66-Y68 HydrophobicContact CD-CE2 4.23Å; K66-Y68 PolarHBondContact O-N 3.45Å; Y68-L131 HydrophobicContact CD1-CD2 3.66Å; Y68-L131 HydrophobicContact CD1-CG 4.46Å; Y68-L131 HydrophobicContact CE1-CD2 3.87Å; Y68-D135 HydrophobicContact CE1-CB 4.2Å; Y68-D135 WeakPolarHBondContact CE1-OD2 3.01Å |
| 69 | G | 63.7 | Low | 68.9 | Low | 31 Ų | 31 | 115.9 Ų | 115.9 | 32% | 0.32 | 63% | 0.634 | S | S | . | * | S | Bend | trans | 108 | -6.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | D67 E130 | D67-G69 PolarHBondContact O-N 2.97Å; G69-E130 WeakPolarHBondContact CA-O 3.46Å; G69-E130 PolarHBondContact N-O 3.03Å |
| 70 | M | 55.5 | Low | 67.8 | Low | 106 Ų | 106 | 122.2 Ų | 122.2 | 52% | 0.522 | 64% | 0.642 | S | S | . | * | trans | -122.5 | 4.6 | -170.4 | -62.3 | -64 | 138.7 | 0 | 0 | 116.3 | K72 E130 | M70-K72 PolarHBondContact O-N 3.47Å; M70-E130 HydrophobicContact CE-CG 4.4Å | ||
| 71 | M | 62.7 | Low | 66.8 | Low | 165 Ų | 165 | 121.9 Ų | 121.9 | 81% | 0.813 | 64% | 0.636 | S | S | * | * | trans | -66.2 | 105.9 | 175 | -91.8 | -173.6 | 88 | 0 | 0 | 111.4 | I73 | M71-I73 PolarHBondContact O-N 2.99Š| ||
| 72 | K | 67.2 | Low | 65.9 | Low | 188 Ų | 188 | 125.7 Ų | 125.7 | 82% | 0.817 | 65% | 0.649 | S | S | * | * | trans | -67.1 | 119.4 | 159.3 | -60.9 | -60.3 | -177.5 | -170.6 | 0 | 107.4 | M70 D74 | M70-K72 PolarHBondContact O-N 3.47Å; K72-D74 PolarHBondContact O-N 3.22Å | ||
| 73 | I | 63.6 | Low | 65.1 | Low | 122 Ų | 122 | 128.6 Ų | 128.6 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | trans | -73.6 | 121.1 | 177.3 | -53.2 | 165.6 | 0 | 0 | 0 | 106.7 | M71 E75 | M71-I73 PolarHBondContact O-N 2.99Å; I73-E75 HydrophobicContact CG2-CB 3.6Å; I73-E75 VanDerWaalsContact CG2-CD 3.45Å; I73-E75 HydrophobicContact CG2-CG 3.41Å; I73-E75 VanDerWaalsContact CG2-CG 3.41Å; I73-E75 PolarHBondContact O-N 3.07Å | ||
| 74 | D | 69.4 | Low | 64.4 | Low | 167 Ų | 167 | 130.4 Ų | 130.4 | 89% | 0.893 | 67% | 0.674 | S | S | * | * | trans | -72.2 | 23 | 173.3 | -80.6 | -26.6 | 0 | 0 | 0 | 112.6 | K72 | K72-D74 PolarHBondContact O-N 3.22Š| ||
| 75 | E | 79.2 | Confident | 64.2 | Low | 146 Ų | 146 | 131.9 Ų | 131.9 | 68% | 0.682 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -75.6 | 129.6 | 173.3 | -78.6 | 173.8 | -157.7 | 0 | 0 | 108.2 | I73 S77 | I73-E75 HydrophobicContact CG2-CB 3.6Å; I73-E75 VanDerWaalsContact CG2-CD 3.45Å; I73-E75 HydrophobicContact CG2-CG 3.41Å; I73-E75 VanDerWaalsContact CG2-CG 3.41Å; I73-E75 PolarHBondContact O-N 3.07Å; E75-S77 PolarHBondContact O-N 3.45Å |
| 76 | P | 73.8 | Confident | 63.9 | Low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 67% | 0.671 | S | S | * | * | trans | -57.3 | 131.6 | 174.8 | 24.5 | -32.5 | 0 | 0 | 0 | 108.6 | T78 | P76-T78 PolarHBondContact O-N 3.04Š| ||
| 77 | S | 75 | Confident | 63.5 | Low | 91 Ų | 91 | 135.5 Ų | 135.5 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | trans | -44.9 | 121.6 | 178 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | E75 | E75-S77 PolarHBondContact O-N 3.45Š| ||
| 78 | T | 71.7 | Confident | 62.7 | Low | 88 Ų | 88 | 133.6 Ų | 133.6 | 54% | 0.54 | 70% | 0.695 | S | S | . | * | trans | -59.5 | 136.6 | 178.8 | 59.9 | 0 | 0 | 0 | 0 | 107.6 | P76 Y80 N81 | P76-T78 PolarHBondContact O-N 3.04Å; T78-Y80 PolarHBondContact O-N 2.7Å; T78-N81 PolarHBondContact O-N 3.32Å | ||
| 79 | P | 82.1 | Confident | 62.3 | Low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -1.8 | -171.7 | -29.6 | 35.5 | 0 | 0 | 0 | 117.1 | ||
| 80 | Y | 64.4 | Low | 61.1 | Low | 216 Ų | 216 | 143.6 Ų | 143.6 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 0.3 | -179.4 | -62 | -74.9 | 0 | 0 | 0 | 114.4 | T78 R82 | T78-Y80 PolarHBondContact O-N 2.7Å; Y80-R82 PolarHBondContact O-N 3.19Å |
| 81 | N | 64.2 | Low | 60.6 | Low | 101 Ų | 101 | 144.5 Ų | 144.5 | 54% | 0.54 | 77% | 0.769 | S | S | . | * | trans | -82.2 | 87.4 | -179.9 | -151.2 | -17.4 | 0 | 0 | 0 | 111.3 | T78 | T78-N81 PolarHBondContact O-N 3.32Š| ||
| 82 | R | 58.7 | Low | 59.4 | Low | 218 Ų | 218 | 144.7 Ų | 144.7 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | trans | -91.3 | 101.3 | 168.3 | 179.6 | -169.5 | -76.4 | -162.8 | -3.2 | 107.6 | Y80 V84 | Y80-R82 PolarHBondContact O-N 3.19Å; R82-V84 PolarHBondContact O-N 2.97Å | ||
| 83 | M | 54.9 | Low | 58.2 | Low | 152 Ų | 152 | 141.2 Ų | 141.2 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -62.2 | 125.6 | 170.5 | -62 | -159 | -179.9 | 0 | 0 | 109.6 | ||||
| 84 | V | 53.3 | Low | 57.3 | Low | 124 Ų | 124 | 144.7 Ų | 144.7 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -110.1 | 103.2 | 163.6 | -177.1 | 0 | 0 | 0 | 0 | 104.9 | R82 | R82-V84 PolarHBondContact O-N 2.97Š| ||
| 85 | E | 54.3 | Low | 56.5 | Low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -72.8 | 123.1 | 170.6 | -69.9 | 169.9 | 164.1 | 0 | 0 | 108.1 | ||||
| 86 | D | 50.5 | Low | 55.5 | Low | 157 Ų | 157 | 140 Ų | 140 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -141.3 | 127.4 | 161.2 | -161.8 | 21 | 0 | 0 | 0 | 110.9 | ||||
| 87 | E | 55.6 | Low | 54.8 | Low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -80.7 | 145.5 | 178.9 | -67.8 | -157.3 | 156.3 | 0 | 0 | 111.2 | ||||
| 88 | G | 40.2 | Very low | 54.2 | Low | 66 Ų | 66 | 138.6 Ų | 138.6 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | trans | -154.1 | 99.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 89 | A | 48.1 | Very low | 54.5 | Low | 103 Ų | 103 | 139 Ų | 139 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -62.9 | 134.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 90 | H | 39.3 | Very low | 54.3 | Low | 193 Ų | 193 | 138.1 Ų | 138.1 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | trans | -115 | 109.7 | 163.5 | -65.8 | -69.4 | 0 | 0 | 0 | 109.4 | ||||
| 91 | S | 44.4 | Very low | 55.2 | Low | 125 Ų | 125 | 133.3 Ų | 133.3 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | -134.3 | 101.3 | 162.7 | -170.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 92 | D | 38.1 | Very low | 56 | Low | 169 Ų | 169 | 131.6 Ų | 131.6 | 90% | 0.904 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 144.8 | -178.7 | -123.5 | -18.3 | 0 | 0 | 0 | 111.5 | ||
| 93 | S | 40.4 | Very low | 57.1 | Low | 116 Ų | 116 | 125.2 Ų | 125.2 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 129.4 | -170.7 | -179 | 0 | 0 | 0 | 0 | 112.5 | ||
| 94 | E | 45.1 | Very low | 58.5 | Low | 194 Ų | 194 | 120.5 Ų | 120.5 | 91% | 0.907 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 147.5 | 168.9 | -81.7 | -158.8 | 106.8 | 0 | 0 | 113.2 | ||
| 95 | G | 53.6 | Low | 60.1 | Low | 80 Ų | 80 | 119.1 Ų | 119.1 | 83% | 0.825 | 70% | 0.701 | S | S | * | * | trans | 101.7 | 78.3 | 141.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 96 | N | 58.3 | Low | 61.4 | Low | 134 Ų | 134 | 116.3 Ų | 116.3 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | trans | -141.1 | 118.3 | 157.9 | -168.9 | 21.3 | 0 | 0 | 0 | 111.9 | ||||
| 97 | V | 59.6 | Low | 63 | Low | 132 Ų | 132 | 115 Ų | 115 | 80% | 0.8 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 118.3 | 172.6 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | N99 | V97-N99 PolarHBondContact O-N 2.84Š|
| 98 | P | 61.3 | Low | 64.5 | Low | 46 Ų | 46 | 109 Ų | 109 | 30% | 0.299 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -72.9 | 131.2 | -172.2 | 26.7 | -31.8 | 0 | 0 | 0 | 112.2 | D102 L103 | P98-D102 HydrophobicContact CB-CB 3.75Å; P98-L103 HydrophobicContact CB-CD2 4.24Å; P98-L103 HydrophobicContact CB-CG 4.32Å; P98-L103 HydrophobicContact CG-CD2 3.97Å; P98-L103 HydrophobicContact CG-CG 4.42Å |
| 99 | N | 78.9 | Confident | 66.6 | Low | 95 Ų | 95 | 108.3 Ų | 108.3 | 51% | 0.508 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 162.5 | 167.6 | -170.9 | -58.2 | 0 | 0 | 0 | 110.7 | V97 D101 D102 L103 | V97-N99 PolarHBondContact O-N 2.84Å; N99-D101 PolarHBondContact O-N 3.3Å; N99-D101 PolarHBondContact OD1-N 3.21Å; N99-D102 HydrophobicContact CB-CB 4.41Å; N99-D102 VanDerWaalsContact CB-OD2 3.29Å; N99-D102 WeakPolarHBondContact CB-OD2 3.46Å; N99-D102 PolarHBondContact N-OD2 3.25Å; N99-D102 CarbonylContact O-C 3.56Å; N99-D102 WeakPolarHBondContact O-CA 3.2Å; N99-D102 VanDerWaalsContact O-CB 3.29Å; N99-D102 WeakPolarHBondContact O-CB 3.2Å; N99-D102 PolarHBondContact O-N 3.33Å; N99-L103 PolarHBondContact O-N 3.2Å |
| 100 | V | 77.9 | Confident | 68 | Low | 109 Ų | 109 | 105.9 Ų | 105.9 | 66% | 0.661 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -55.3 | -38.6 | 174.8 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | D102 L103 A104 | V100-D102 VanDerWaalsContact C-N 3.34Å; V100-L103 WeakPolarHBondContact O-CB 3.36Å; V100-L103 PolarHBondContact O-N 3.47Å; V100-A104 PolarHBondContact O-N 3.08Å |
| 101 | D | 81.6 | Confident | 69.9 | Low | 116 Ų | 116 | 104.6 Ų | 104.6 | 62% | 0.62 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.4 | -32.4 | 174.6 | -72.5 | -30.7 | 0 | 0 | 0 | 112.1 | N99 L103 A104 T105 | N99-D101 PolarHBondContact O-N 3.3Å; N99-D101 PolarHBondContact OD1-N 3.21Å; D101-L103 VanDerWaalsContact C-N 3.33Å; D101-A104 PolarHBondContact O-N 2.7Å; D101-T105 WeakPolarHBondContact O-CB 3.45Å; D101-T105 PolarHBondContact O-N 2.85Å; D101-T105 PolarHBondContact O-OG1 3.29Å |
| 102 | D | 82.9 | Confident | 71.3 | Confident | 64 Ų | 64 | 102.8 Ų | 102.8 | 34% | 0.342 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.4 | -35.2 | 173.1 | -58.4 | -33.8 | 0 | 0 | 0 | 111 | P98 N99 V100 K106 | P98-D102 HydrophobicContact CB-CB 3.75Å; N99-D102 HydrophobicContact CB-CB 4.41Å; N99-D102 VanDerWaalsContact CB-OD2 3.29Å; N99-D102 WeakPolarHBondContact CB-OD2 3.46Å; N99-D102 PolarHBondContact N-OD2 3.25Å; N99-D102 CarbonylContact O-C 3.56Å; N99-D102 WeakPolarHBondContact O-CA 3.2Å; N99-D102 VanDerWaalsContact O-CB 3.29Å; N99-D102 WeakPolarHBondContact O-CB 3.2Å; N99-D102 PolarHBondContact O-N 3.33Å; V100-D102 VanDerWaalsContact C-N 3.34Å; D102-K106 WeakPolarHBondContact O-CB 3.44Å; D102-K106 WeakPolarHBondContact O-CG 3.49Å; D102-K106 PolarHBondContact O-N 2.98Å |
| 103 | L | 80.4 | Confident | 73.2 | Confident | 84 Ų | 84 | 101.3 Ų | 101.3 | 44% | 0.44 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.7 | -46.1 | 174.8 | -70.5 | 172.3 | 0 | 0 | 0 | 111.3 | P98 N99 V100 D101 T105 K106 L107 | P98-L103 HydrophobicContact CB-CD2 4.24Å; P98-L103 HydrophobicContact CB-CG 4.32Å; P98-L103 HydrophobicContact CG-CD2 3.97Å; P98-L103 HydrophobicContact CG-CG 4.42Å; N99-L103 PolarHBondContact O-N 3.2Å; V100-L103 WeakPolarHBondContact O-CB 3.36Å; V100-L103 PolarHBondContact O-N 3.47Å; D101-L103 VanDerWaalsContact C-N 3.33Å; L103-T105 VanDerWaalsContact C-N 3.29Å; L103-T105 PolarHBondContact O-N 3.06Å; L103-K106 PolarHBondContact O-N 3.25Å; L103-L107 WeakPolarHBondContact O-CB 3.42Å; L103-L107 VanDerWaalsContact O-CG 3.32Å; L103-L107 WeakPolarHBondContact O-CG 3.29Å; L103-L107 PolarHBondContact O-N 3.49Å |
| 104 | A | 85.1 | Confident | 75 | Confident | 54 Ų | 54 | 102 Ų | 102 | 45% | 0.446 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.8 | -42.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V100 D101 L107 A108 | V100-A104 PolarHBondContact O-N 3.08Å; D101-A104 PolarHBondContact O-N 2.7Å; A104-L107 PolarHBondContact O-N 3.06Å; A104-A108 WeakPolarHBondContact O-CB 3.34Å; A104-A108 PolarHBondContact O-N 3.01Å |
| 105 | T | 85.5 | Confident | 76.4 | Confident | 95 Ų | 95 | 95.6 Ų | 95.6 | 58% | 0.583 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.5 | -42.2 | 176.5 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | D101 L103 A109 | D101-T105 WeakPolarHBondContact O-CB 3.45Å; D101-T105 PolarHBondContact O-N 2.85Å; D101-T105 PolarHBondContact O-OG1 3.29Å; L103-T105 VanDerWaalsContact C-N 3.29Å; L103-T105 PolarHBondContact O-N 3.06Å; T105-A109 WeakPolarHBondContact O-CB 3.04Å; T105-A109 PolarHBondContact O-N 3.12Å |
| 106 | K | 83.4 | Confident | 76.9 | Confident | 123 Ų | 123 | 100 Ų | 100 | 54% | 0.535 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.1 | -39.2 | 176 | -77.3 | 173.8 | -176.4 | -174.9 | 0 | 112.5 | D102 L103 A109 A110 | D102-K106 WeakPolarHBondContact O-CB 3.44Å; D102-K106 WeakPolarHBondContact O-CG 3.49Å; D102-K106 PolarHBondContact O-N 2.98Å; L103-K106 PolarHBondContact O-N 3.25Å; K106-A109 PolarHBondContact O-N 3.33Å; K106-A110 VanDerWaalsContact O-CB 3.29Å; K106-A110 WeakPolarHBondContact O-CB 3.04Å; K106-A110 PolarHBondContact O-N 2.89Å |
| 107 | L | 84.1 | Confident | 77.1 | Confident | 129 Ų | 129 | 101.3 Ų | 101.3 | 68% | 0.675 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.4 | -46.8 | 176.6 | -73 | 170.4 | 0 | 0 | 0 | 111.4 | L103 A104 A109 A110 E111 | L103-L107 WeakPolarHBondContact O-CB 3.42Å; L103-L107 VanDerWaalsContact O-CG 3.32Å; L103-L107 WeakPolarHBondContact O-CG 3.29Å; L103-L107 PolarHBondContact O-N 3.49Å; A104-L107 PolarHBondContact O-N 3.06Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3.35Å; L107-A110 CarbonylContact O-C 3.59Å; L107-A110 PolarHBondContact O-N 2.95Å; L107-A110 VanDerWaalsContact O-N 3.13Å; L107-E111 PolarHBondContact O-N 3.15Å |
| 108 | A | 87.1 | Confident | 77.2 | Confident | 63 Ų | 63 | 100.2 Ų | 100.2 | 52% | 0.521 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.8 | -35.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A104 A110 E111 | A104-A108 WeakPolarHBondContact O-CB 3.34Å; A104-A108 PolarHBondContact O-N 3.01Å; A108-A110 VanDerWaalsContact C-N 3.3Å; A108-A110 PolarHBondContact O-N 2.77Å; A108-E111 WeakPolarHBondContact O-CB 3.07Å; A108-E111 PolarHBondContact O-N 2.95Å |
| 109 | A | 82.8 | Confident | 77.1 | Confident | 50 Ų | 50 | 105 Ų | 105 | 41% | 0.413 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -75.3 | -18.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T105 K106 L107 K113 | T105-A109 WeakPolarHBondContact O-CB 3.04Å; T105-A109 PolarHBondContact O-N 3.12Å; K106-A109 PolarHBondContact O-N 3.33Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3.35Å; A109-K113 VanDerWaalsContact O-CD 3.24Å; A109-K113 WeakPolarHBondContact O-CD 3.23Å; A109-K113 WeakPolarHBondContact O-CE 3.35Å; A109-K113 PolarHBondContact O-NZ 2.96Å |
| 110 | A | 78.9 | Confident | 76.2 | Confident | 53 Ų | 53 | 108.9 Ų | 108.9 | 44% | 0.438 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -92.4 | -18 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K106 L107 A108 G112 K113 | K106-A110 VanDerWaalsContact O-CB 3.29Å; K106-A110 WeakPolarHBondContact O-CB 3.04Å; K106-A110 PolarHBondContact O-N 2.89Å; L107-A110 CarbonylContact O-C 3.59Å; L107-A110 PolarHBondContact O-N 2.95Å; L107-A110 VanDerWaalsContact O-N 3.13Å; A108-A110 VanDerWaalsContact C-N 3.3Å; A108-A110 PolarHBondContact O-N 2.77Å; A110-G112 PolarHBondContact O-N 3.22Å; A110-K113 PolarHBondContact O-N 2.79Å |
| 111 | E | 78.9 | Confident | 74.9 | Confident | 166 Ų | 166 | 107.1 Ų | 107.1 | 78% | 0.776 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 116.8 | 172.9 | -167 | 171.4 | -164.5 | 0 | 0 | 109.8 | L107 A108 | L107-E111 PolarHBondContact O-N 3.15Å; A108-E111 WeakPolarHBondContact O-CB 3.07Å; A108-E111 PolarHBondContact O-N 2.95Å |
| 112 | G | 74.2 | Confident | 73.2 | Confident | 87 Ų | 87 | 108.8 Ų | 108.8 | 90% | 0.897 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89 | -1.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A110 | A110-G112 PolarHBondContact O-N 3.22Š|
| 113 | K | 76.7 | Confident | 71.4 | Confident | 137 Ų | 137 | 110.5 Ų | 110.5 | 60% | 0.596 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -96.1 | 130.1 | 168.5 | -67.9 | 178.8 | -176.5 | 156.1 | 0 | 109.7 | A109 A110 | A109-K113 VanDerWaalsContact O-CD 3.24Å; A109-K113 WeakPolarHBondContact O-CD 3.23Å; A109-K113 WeakPolarHBondContact O-CE 3.35Å; A109-K113 PolarHBondContact O-NZ 2.96Å; A110-K113 PolarHBondContact O-N 2.79Å |
| 114 | E | 78.7 | Confident | 69.9 | Low | 132 Ų | 132 | 108.9 Ų | 108.9 | 62% | 0.617 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 139.2 | 174.5 | -75 | -173.6 | 161.7 | 0 | 0 | 110.8 | M118 | E114-M118 HydrophobicContact CB-CB 4.23Š|
| 115 | P | 73.9 | Confident | 67.9 | Low | 59 Ų | 59 | 110.7 Ų | 110.7 | 38% | 0.383 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 149.2 | 179.5 | 25.3 | -33 | 0 | 0 | 0 | 110.2 | F117 M118 R119 | P115-F117 HydrophobicContact CB-CD1 3.72Å; P115-F117 HydrophobicContact CB-CE1 3.55Å; P115-F117 HydrophobicContact CG-CD1 3.89Å; P115-F117 HydrophobicContact CG-CE1 3.32Å; P115-F117 HydrophobicContact CG-CZ 3.91Å; P115-F117 PolarHBondContact O-N 3.5Å; P115-M118 HydrophobicContact CG-CB 4.14Å; P115-M118 HydrophobicContact CG-CG 3.81Å; P115-M118 HydrophobicContact CG-SD 3.63Å; P115-M118 WeakPolarHBondContact O-CA 3.44Å; P115-M118 WeakPolarHBondContact O-CB 3.4Å; P115-M118 PolarHBondContact O-N 2.8Å; P115-R119 PolarHBondContact O-N 3.41Å |
| 116 | R | 64.9 | Low | 65.9 | Low | 171 Ų | 171 | 114.9 Ų | 114.9 | 65% | 0.645 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | -35 | -170.6 | -152.6 | -163.6 | 156.3 | 158.5 | 0.2 | 113.7 | M118 R119 E121 | R116-M118 VanDerWaalsContact C-N 3.32Å; R116-M118 PolarHBondContact O-N 2.85Å; R116-R119 VanDerWaalsContact O-CB 3.28Å; R116-R119 WeakPolarHBondContact O-CB 3.26Å; R116-R119 PolarHBondContact O-N 3.05Å; R116-E121 VanDerWaalsContact CD-OE1 3.25Å; R116-E121 WeakPolarHBondContact CD-OE1 3.37Å; R116-E121 WeakPolarHBondContact CG-OE1 3.36Å; R116-E121 IonicContact CZ-OE1 3.78Å; R116-E121 IonicContact CZ-OE2 3.37Å; R116-E121 IonicContact NE-OE1 2.84Å; R116-E121 PolarHBondContact NE-OE1 2.84Å; R116-E121 IonicContact NE-OE2 3.05Å; R116-E121 PolarHBondContact NE-OE2 3.45Å; R116-E121 IonicContact NH2-OE1 3.99Å; R116-E121 IonicContact NH2-OE2 2.85Å; R116-E121 PolarHBondContact NH2-OE2 3.26Å |
| 117 | F | 61.8 | Low | 64.1 | Low | 163 Ų | 163 | 116.2 Ų | 116.2 | 72% | 0.715 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -19 | 177.4 | 80.4 | -90.2 | 0 | 0 | 0 | 115.1 | P115 | P115-F117 HydrophobicContact CB-CD1 3.72Å; P115-F117 HydrophobicContact CB-CE1 3.55Å; P115-F117 HydrophobicContact CG-CD1 3.89Å; P115-F117 HydrophobicContact CG-CE1 3.32Å; P115-F117 HydrophobicContact CG-CZ 3.91Å; P115-F117 PolarHBondContact O-N 3.5Å |
| 118 | M | 61.8 | Low | 62.3 | Low | 109 Ų | 109 | 111.5 Ų | 111.5 | 54% | 0.537 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | -19.9 | 173.5 | -69.2 | -175.5 | 132.2 | 0 | 0 | 111.8 | E114 P115 R116 E120 | E114-M118 HydrophobicContact CB-CB 4.23Å; P115-M118 HydrophobicContact CG-CB 4.14Å; P115-M118 HydrophobicContact CG-CG 3.81Å; P115-M118 HydrophobicContact CG-SD 3.63Å; P115-M118 WeakPolarHBondContact O-CA 3.44Å; P115-M118 WeakPolarHBondContact O-CB 3.4Å; P115-M118 PolarHBondContact O-N 2.8Å; R116-M118 VanDerWaalsContact C-N 3.32Å; R116-M118 PolarHBondContact O-N 2.85Å; M118-E120 PolarHBondContact O-N 3.4Å |
| 119 | R | 60.5 | Low | 60.4 | Low | 145 Ų | 145 | 115 Ų | 115 | 55% | 0.547 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -65.6 | 125.6 | 165.9 | -161.6 | 178.3 | -63.5 | 169.5 | 1.9 | 106.9 | P115 R116 E121 | P115-R119 PolarHBondContact O-N 3.41Å; R116-R119 VanDerWaalsContact O-CB 3.28Å; R116-R119 WeakPolarHBondContact O-CB 3.26Å; R116-R119 PolarHBondContact O-N 3.05Å; R119-E121 PolarHBondContact O-N 3.48Å |
| 120 | E | 58.6 | Low | 59.1 | Low | 177 Ų | 177 | 118.3 Ų | 118.3 | 83% | 0.827 | 60% | 0.595 | S | S | * | * | trans | -61.5 | 87.8 | 163.6 | -70.4 | 179.5 | 163.8 | 0 | 0 | 106 | M118 E122 | M118-E120 PolarHBondContact O-N 3.4Å; E120-E122 PolarHBondContact O-N 3.32Å | ||
| 121 | E | 50.4 | Low | 58.1 | Low | 72 Ų | 72 | 117.9 Ų | 117.9 | 34% | 0.336 | 59% | 0.585 | S | S | . | * | trans | -64.2 | 123.4 | -176.9 | -71.2 | -162.6 | -148.8 | 0 | 0 | 109 | R116 R119 S123 | R116-E121 VanDerWaalsContact CD-OE1 3.25Å; R116-E121 WeakPolarHBondContact CD-OE1 3.37Å; R116-E121 WeakPolarHBondContact CG-OE1 3.36Å; R116-E121 IonicContact CZ-OE1 3.78Å; R116-E121 IonicContact CZ-OE2 3.37Å; R116-E121 IonicContact NE-OE1 2.84Å; R116-E121 PolarHBondContact NE-OE1 2.84Å; R116-E121 IonicContact NE-OE2 3.05Å; R116-E121 PolarHBondContact NE-OE2 3.45Å; R116-E121 IonicContact NH2-OE1 3.99Å; R116-E121 IonicContact NH2-OE2 2.85Å; R116-E121 PolarHBondContact NH2-OE2 3.26Å; R119-E121 PolarHBondContact O-N 3.48Å; E121-S123 PolarHBondContact O-N 2.89Å | ||
| 122 | E | 46.1 | Very low | 57.9 | Low | 152 Ų | 152 | 112.9 Ų | 112.9 | 71% | 0.71 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -47.9 | 8.9 | 156.6 | -62.9 | -178.2 | 162.1 | 0 | 0 | 113.7 | E120 S124 E125 | E120-E122 PolarHBondContact O-N 3.32Å; E122-S124 PolarHBondContact O-N 3.32Å; E122-E125 HydrophobicContact CB-CB 4.38Å; E122-E125 WeakPolarHBondContact CB-OE2 3.37Å; E122-E125 WeakPolarHBondContact CG-OE2 3.25Å; E122-E125 WeakPolarHBondContact O-CB 3.32Å; E122-E125 PolarHBondContact O-N 3.49Å |
| 123 | S | 46.3 | Very low | 58.1 | Low | 100 Ų | 100 | 113.8 Ų | 113.8 | 70% | 0.699 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -69.6 | -10.5 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 113.3 | E121 | E121-S123 PolarHBondContact O-N 2.89Š|
| 124 | S | 47.3 | Very low | 58.1 | Low | 50 Ų | 50 | 113.2 Ų | 113.2 | 35% | 0.35 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -92.5 | -2.9 | 168.3 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | E122 E128 | E122-S124 PolarHBondContact O-N 3.32Å; S124-E128 PolarHBondContact O-N 2.87Å |
| 125 | E | 44.3 | Very low | 58 | Low | 92 Ų | 92 | 108.2 Ų | 108.2 | 43% | 0.43 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -31.6 | -168.8 | -150.6 | 150.8 | -167.4 | 0 | 0 | 111.7 | E122 E127 E128 D129 | E122-E125 HydrophobicContact CB-CB 4.38Å; E122-E125 WeakPolarHBondContact CB-OE2 3.37Å; E122-E125 WeakPolarHBondContact CG-OE2 3.25Å; E122-E125 WeakPolarHBondContact O-CB 3.32Å; E122-E125 PolarHBondContact O-N 3.49Å; E125-E127 VanDerWaalsContact C-N 3.27Å; E125-E127 PolarHBondContact O-N 3.4Å; E125-E128 PolarHBondContact O-N 3.36Å; E125-D129 PolarHBondContact O-N 3.28Å |
| 126 | E | 42.7 | Very low | 58.3 | Low | 182 Ų | 182 | 107.6 Ų | 107.6 | 85% | 0.85 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23 | 176.1 | -70.5 | -176.8 | 174.4 | 0 | 0 | 114.1 | ||
| 127 | E | 46.2 | Very low | 59.3 | Low | 152 Ų | 152 | 102.3 Ų | 102.3 | 71% | 0.71 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -4.7 | 170.3 | -79.3 | -164.2 | -176.7 | 0 | 0 | 113.1 | E125 | E125-E127 VanDerWaalsContact C-N 3.27Å; E125-E127 PolarHBondContact O-N 3.4Å |
| 128 | E | 45.7 | Very low | 60.4 | Low | 30 Ų | 30 | 99 Ų | 99 | 14% | 0.14 | 50% | 0.503 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -29.1 | 173.2 | -82.6 | -162.9 | 175 | 0 | 0 | 111.9 | S124 E125 E130 L131 Q136 K140 | S124-E128 PolarHBondContact O-N 2.87Å; E125-E128 PolarHBondContact O-N 3.36Å; E128-E130 VanDerWaalsContact C-N 3.26Å; E128-E130 PolarHBondContact O-N 2.91Å; E128-L131 PolarHBondContact O-N 3.22Å; E128-Q136 PolarHBondContact O-NE2 2.89Å; E128-K140 VanDerWaalsContact OE1-CE 3.29Å; E128-K140 WeakPolarHBondContact OE1-CE 3.17Å; E128-K140 IonicContact OE1-NZ 3.78Å; E128-K140 WeakPolarHBondContact OE2-CE 3.28Å; E128-K140 IonicContact OE2-NZ 2.95Å; E128-K140 PolarHBondContact OE2-NZ 2.91Å |
| 129 | D | 48.2 | Very low | 61.5 | Low | 136 Ų | 136 | 96.6 Ų | 96.6 | 73% | 0.727 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -19.7 | -173.1 | -77.7 | -29.1 | 0 | 0 | 0 | 115.2 | E125 | E125-D129 PolarHBondContact O-N 3.28Š|
| 130 | E | 54.9 | Low | 62.9 | Low | 120 Ų | 120 | 94.1 Ų | 94.1 | 56% | 0.561 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -4.2 | 178.9 | -64.2 | -173.3 | 172.6 | 0 | 0 | 114 | G69 M70 E128 | G69-E130 WeakPolarHBondContact CA-O 3.46Å; G69-E130 PolarHBondContact N-O 3.03Å; M70-E130 HydrophobicContact CE-CG 4.4Å; E128-E130 VanDerWaalsContact C-N 3.26Å; E128-E130 PolarHBondContact O-N 2.91Å |
| 131 | L | 58.7 | Low | 64.6 | Low | 43 Ų | 43 | 91.9 Ų | 91.9 | 23% | 0.225 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -89.3 | 143.8 | -178.8 | -95.4 | 142.3 | 0 | 0 | 0 | 112.3 | Y68 E128 D135 Q136 | Y68-L131 HydrophobicContact CD1-CD2 3.66Å; Y68-L131 HydrophobicContact CD1-CG 4.46Å; Y68-L131 HydrophobicContact CE1-CD2 3.87Å; E128-L131 PolarHBondContact O-N 3.22Å; L131-D135 HydrophobicContact CD2-CB 3.38Å; L131-Q136 HydrophobicContact CB-CG 3.74Å; L131-Q136 PolarHBondContact O-NE2 2.84Å |
| 132 | T | 74.9 | Confident | 66.6 | Low | 61 Ų | 61 | 94.6 Ų | 94.6 | 37% | 0.374 | 48% | 0.483 | S | S | . | . | trans | -59.4 | 146.9 | 170.4 | 72.8 | 0 | 0 | 0 | 0 | 109.9 | E134 D135 Q136 | T132-E134 PolarHBondContact O-N 3.42Å; T132-E134 VanDerWaalsContact O-N 3.12Å; T132-D135 PolarHBondContact O-N 3.25Å; T132-D135 WeakPolarHBondContact OG1-CB 3.2Å; T132-D135 VanDerWaalsContact OG1-CG 3.25Å; T132-D135 PolarHBondContact OG1-N 3.01Å; T132-D135 PolarHBondContact OG1-OD2 2.75Å; T132-Q136 WeakPolarHBondContact O-CG 3.29Å; T132-Q136 PolarHBondContact O-N 3.27Å | ||
| 133 | P | 77.5 | Confident | 68.9 | Low | 106 Ų | 106 | 90.9 Ų | 90.9 | 69% | 0.688 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.5 | -28.4 | -179.7 | 23 | -34.2 | 0 | 0 | 0 | 112.5 | A137 | P133-A137 PolarHBondContact O-N 2.96Å; P133-A137 VanDerWaalsContact O-N 3.15Å |
| 134 | E | 76.5 | Confident | 71.3 | Confident | 126 Ų | 126 | 91.4 Ų | 91.4 | 59% | 0.589 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68 | -42.9 | 175.1 | -166 | -169.6 | 144.3 | 0 | 0 | 111.8 | T132 A137 K138 | T132-E134 PolarHBondContact O-N 3.42Å; T132-E134 VanDerWaalsContact O-N 3.12Å; E134-A137 PolarHBondContact O-N 3.3Å; E134-K138 WeakPolarHBondContact O-CG 3.33Å; E134-K138 PolarHBondContact O-N 2.93Å; E134-K138 WeakPolarHBondContact OE1-CE 3.19Å; E134-K138 IonicContact OE1-NZ 2.7Å; E134-K138 PolarHBondContact OE1-NZ 3.12Å |
| 135 | D | 77.1 | Confident | 73.6 | Confident | 26 Ų | 26 | 94.7 Ų | 94.7 | 14% | 0.139 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -76.8 | -30.6 | -179.3 | -65.1 | -39.8 | 0 | 0 | 0 | 112.3 | Y68 L131 T132 A137 K138 K139 | Y68-D135 HydrophobicContact CE1-CB 4.2Å; Y68-D135 WeakPolarHBondContact CE1-OD2 3.01Å; L131-D135 HydrophobicContact CD2-CB 3.38Å; T132-D135 PolarHBondContact O-N 3.25Å; T132-D135 WeakPolarHBondContact OG1-CB 3.2Å; T132-D135 VanDerWaalsContact OG1-CG 3.25Å; T132-D135 PolarHBondContact OG1-N 3.01Å; T132-D135 PolarHBondContact OG1-OD2 2.75Å; D135-A137 VanDerWaalsContact C-N 3.34Å; D135-K138 PolarHBondContact O-N 3.26Å; D135-K138 IonicContact OD1-NZ 3.08Å; D135-K138 PolarHBondContact OD1-NZ 3.48Å; D135-K138 VanDerWaalsContact OD1-NZ 3.08Å; D135-K139 WeakPolarHBondContact O-CB 3.33Å; D135-K139 PolarHBondContact O-N 2.93Å |
| 136 | Q | 79.2 | Confident | 76.1 | Confident | 47 Ų | 47 | 96.3 Ų | 96.3 | 22% | 0.22 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59 | -44.9 | 166.9 | -68.7 | -179.5 | 3.8 | 0 | 0 | 111.3 | E128 L131 T132 K138 K139 K140 | E128-Q136 PolarHBondContact O-NE2 2.89Å; L131-Q136 HydrophobicContact CB-CG 3.74Å; L131-Q136 PolarHBondContact O-NE2 2.84Å; T132-Q136 WeakPolarHBondContact O-CG 3.29Å; T132-Q136 PolarHBondContact O-N 3.27Å; Q136-K138 PolarHBondContact O-N 2.87Å; Q136-K139 PolarHBondContact O-N 3.22Å; Q136-K140 WeakPolarHBondContact O-CB 3.29Å; Q136-K140 WeakPolarHBondContact O-CG 3.4Å; Q136-K140 PolarHBondContact O-N 2.88Å |
| 137 | A | 85.9 | Confident | 78.6 | Confident | 59 Ų | 59 | 95.4 Ų | 95.4 | 49% | 0.488 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | P133 E134 D135 K140 Q141 | P133-A137 PolarHBondContact O-N 2.96Å; P133-A137 VanDerWaalsContact O-N 3.15Å; E134-A137 PolarHBondContact O-N 3.3Å; D135-A137 VanDerWaalsContact C-N 3.34Å; A137-K140 PolarHBondContact O-N 2.83Å; A137-Q141 WeakPolarHBondContact O-CB 3.47Å; A137-Q141 PolarHBondContact O-N 3.36Å |
| 138 | K | 86 | Confident | 81 | Confident | 93 Ų | 93 | 94.6 Ų | 94.6 | 40% | 0.404 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 174.1 | -70.3 | 172.4 | -164.6 | 150.2 | 0 | 111.9 | E134 D135 Q136 Q141 F142 | E134-K138 WeakPolarHBondContact O-CG 3.33Å; E134-K138 PolarHBondContact O-N 2.93Å; E134-K138 WeakPolarHBondContact OE1-CE 3.19Å; E134-K138 IonicContact OE1-NZ 2.7Å; E134-K138 PolarHBondContact OE1-NZ 3.12Å; D135-K138 PolarHBondContact O-N 3.26Å; D135-K138 IonicContact OD1-NZ 3.08Å; D135-K138 PolarHBondContact OD1-NZ 3.48Å; D135-K138 VanDerWaalsContact OD1-NZ 3.08Å; Q136-K138 PolarHBondContact O-N 2.87Å; K138-Q141 PolarHBondContact O-N 3.28Å; K138-F142 WeakPolarHBondContact O-CB 3.29Å; K138-F142 PolarHBondContact O-N 2.88Å |
| 139 | K | 84.4 | Confident | 83.4 | Confident | 59 Ų | 59 | 99.1 Ų | 99.1 | 26% | 0.257 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 175.9 | -172.8 | -176.9 | 178.7 | -175.7 | 0 | 110.2 | D135 Q136 F142 Q143 | D135-K139 WeakPolarHBondContact O-CB 3.33Å; D135-K139 PolarHBondContact O-N 2.93Å; Q136-K139 PolarHBondContact O-N 3.22Å; K139-F142 PolarHBondContact O-N 2.95Å; K139-Q143 WeakPolarHBondContact O-CG 3.21Å; K139-Q143 PolarHBondContact O-N 2.95Å |
| 140 | K | 90.3 | Very high | 85.8 | Confident | 94 Ų | 94 | 100 Ų | 100 | 41% | 0.409 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 176.9 | -73.6 | 172.6 | -179.5 | 169.2 | 0 | 111.6 | E128 Q136 A137 F142 Q143 I144 | E128-K140 VanDerWaalsContact OE1-CE 3.29Å; E128-K140 WeakPolarHBondContact OE1-CE 3.17Å; E128-K140 IonicContact OE1-NZ 3.78Å; E128-K140 WeakPolarHBondContact OE2-CE 3.28Å; E128-K140 IonicContact OE2-NZ 2.95Å; E128-K140 PolarHBondContact OE2-NZ 2.91Å; Q136-K140 WeakPolarHBondContact O-CB 3.29Å; Q136-K140 WeakPolarHBondContact O-CG 3.4Å; Q136-K140 PolarHBondContact O-N 2.88Å; A137-K140 PolarHBondContact O-N 2.83Å; K140-F142 PolarHBondContact O-N 3.49Å; K140-Q143 PolarHBondContact O-N 3.48Å; K140-I144 WeakPolarHBondContact O-CG1 3.45Å; K140-I144 PolarHBondContact O-N 2.8Å |
| 141 | Q | 93.8 | Very high | 87.7 | Confident | 129 Ų | 129 | 98.6 Ų | 98.6 | 60% | 0.603 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.6 | -44.1 | 175.1 | -174.8 | -178.6 | -2.8 | 0 | 0 | 111.9 | A137 K138 Q143 I144 M145 | A137-Q141 WeakPolarHBondContact O-CB 3.47Å; A137-Q141 PolarHBondContact O-N 3.36Å; K138-Q141 PolarHBondContact O-N 3.28Å; Q141-Q143 PolarHBondContact O-N 3.26Å; Q141-I144 PolarHBondContact O-N 2.86Å; Q141-M145 HydrophobicContact CG-CG 4.44Å; Q141-M145 WeakPolarHBondContact O-CB 3.24Å; Q141-M145 VanDerWaalsContact O-CG 3.26Å; Q141-M145 WeakPolarHBondContact O-CG 3.13Å; Q141-M145 PolarHBondContact O-N 3.41Å |
| 142 | F | 93.6 | Very high | 89.4 | Confident | 130 Ų | 130 | 101.4 Ų | 101.4 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 177.2 | 175.7 | -99 | 0 | 0 | 0 | 111.8 | K138 K139 K140 I144 M145 R146 | K138-F142 WeakPolarHBondContact O-CB 3.29Å; K138-F142 PolarHBondContact O-N 2.88Å; K139-F142 PolarHBondContact O-N 2.95Å; K140-F142 PolarHBondContact O-N 3.49Å; F142-I144 PolarHBondContact O-N 3.13Å; F142-M145 PolarHBondContact O-N 3.41Å; F142-R146 VanDerWaalsContact O-CB 3.23Å; F142-R146 WeakPolarHBondContact O-CB 3.32Å; F142-R146 PolarHBondContact O-N 2.96Å |
| 143 | Q | 93.2 | Very high | 90.3 | Very high | 73 Ų | 73 | 101.1 Ų | 101.1 | 34% | 0.341 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 176.4 | -71.5 | -178.8 | 42.5 | 0 | 0 | 111.9 | K139 K140 Q141 R146 K147 | K139-Q143 WeakPolarHBondContact O-CG 3.21Å; K139-Q143 PolarHBondContact O-N 2.95Å; K140-Q143 PolarHBondContact O-N 3.48Å; Q141-Q143 PolarHBondContact O-N 3.26Å; Q143-R146 PolarHBondContact O-N 3.18Å; Q143-K147 WeakPolarHBondContact O-CB 3.46Å; Q143-K147 PolarHBondContact O-N 3.25Å |
| 144 | I | 96.1 | Very high | 91.1 | Very high | 111 Ų | 111 | 102.9 Ų | 102.9 | 57% | 0.569 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -49 | 175.3 | -66.5 | 166.3 | 0 | 0 | 0 | 110.4 | K140 Q141 F142 R146 K147 M148 | K140-I144 WeakPolarHBondContact O-CG1 3.45Å; K140-I144 PolarHBondContact O-N 2.8Å; Q141-I144 PolarHBondContact O-N 2.86Å; F142-I144 PolarHBondContact O-N 3.13Å; I144-R146 VanDerWaalsContact C-N 3.33Å; I144-R146 PolarHBondContact O-N 2.75Å; I144-K147 PolarHBondContact O-N 3.41Å; I144-M148 WeakPolarHBondContact O-CG 3.36Å; I144-M148 PolarHBondContact O-N 3.5Å |
| 145 | M | 96.6 | Very high | 92 | Very high | 119 Ų | 119 | 101.1 Ų | 101.1 | 59% | 0.586 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.4 | -44.8 | 177.8 | -73.7 | -65.7 | -65.4 | 0 | 0 | 111.7 | Q141 F142 M148 H149 | Q141-M145 HydrophobicContact CG-CG 4.44Å; Q141-M145 WeakPolarHBondContact O-CB 3.24Å; Q141-M145 VanDerWaalsContact O-CG 3.26Å; Q141-M145 WeakPolarHBondContact O-CG 3.13Å; Q141-M145 PolarHBondContact O-N 3.41Å; F142-M145 PolarHBondContact O-N 3.41Å; M145-M148 PolarHBondContact O-N 3.43Å; M145-H149 WeakPolarHBondContact O-CB 3.37Å; M145-H149 PolarHBondContact O-N 3.03Å |
| 146 | R | 96.6 | Very high | 92.9 | Very high | 126 Ų | 126 | 103.9 Ų | 103.9 | 48% | 0.475 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 177.1 | -174.9 | 177.8 | 68.7 | 179.4 | -0.3 | 111.4 | F142 Q143 I144 M148 H149 Y150 | F142-R146 VanDerWaalsContact O-CB 3.23Å; F142-R146 WeakPolarHBondContact O-CB 3.32Å; F142-R146 PolarHBondContact O-N 2.96Å; Q143-R146 PolarHBondContact O-N 3.18Å; I144-R146 VanDerWaalsContact C-N 3.33Å; I144-R146 PolarHBondContact O-N 2.75Å; R146-M148 VanDerWaalsContact C-N 3.32Å; R146-M148 PolarHBondContact O-N 3.04Å; R146-H149 PolarHBondContact O-N 3.4Å; R146-Y150 HydrophobicContact CG-CD2 3.64Å; R146-Y150 HydrophobicContact CG-CE2 3.57Å; R146-Y150 WeakPolarHBondContact O-CD2 3.49Å; R146-Y150 PolarHBondContact O-N 2.99Å; R146-Y150 VanDerWaalsContact O-N 3.12Å |
| 147 | K | 96.3 | Very high | 93.6 | Very high | 163 Ų | 163 | 111.8 Ų | 111.8 | 71% | 0.709 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.8 | -40.1 | 176.9 | -177.1 | 176.6 | -179.8 | 174.9 | 0 | 111.7 | Q143 I144 | Q143-K147 WeakPolarHBondContact O-CB 3.46Å; Q143-K147 PolarHBondContact O-N 3.25Å; I144-K147 PolarHBondContact O-N 3.41Å |
| 148 | M | 95.1 | Very high | 94 | Very high | 136 Ų | 136 | 114.6 Ų | 114.6 | 67% | 0.67 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -72 | -32.2 | 176.5 | -69.8 | -60.7 | -62.8 | 0 | 0 | 113 | I144 M145 R146 | I144-M148 WeakPolarHBondContact O-CG 3.36Å; I144-M148 PolarHBondContact O-N 3.5Å; M145-M148 PolarHBondContact O-N 3.43Å; R146-M148 VanDerWaalsContact C-N 3.32Å; R146-M148 PolarHBondContact O-N 3.04Å |
| 149 | H | 97.4 | Very high | 94.5 | Very high | 125 Ų | 125 | 112.3 Ų | 112.3 | 58% | 0.579 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.4 | -46.4 | -178.3 | -177.9 | 59.4 | 0 | 0 | 0 | 112.7 | M145 R146 N151 | M145-H149 WeakPolarHBondContact O-CB 3.37Å; M145-H149 PolarHBondContact O-N 3.03Å; R146-H149 PolarHBondContact O-N 3.4Å; H149-N151 VanDerWaalsContact C-N 3.28Å; H149-N151 PolarHBondContact O-N 3.16Å |
| 150 | Y | 96.9 | Very high | 95.1 | Very high | 153 Ų | 153 | 118 Ų | 118 | 60% | 0.6 | 56% | 0.559 | S | S | * | * | trans | -81.3 | 74.7 | -178.1 | -68.4 | -59.9 | 0 | 0 | 0 | 111.7 | R146 E152 | R146-Y150 HydrophobicContact CG-CD2 3.64Å; R146-Y150 HydrophobicContact CG-CE2 3.57Å; R146-Y150 WeakPolarHBondContact O-CD2 3.49Å; R146-Y150 PolarHBondContact O-N 2.99Å; R146-Y150 VanDerWaalsContact O-N 3.12Å; Y150-E152 WeakPolarHBondContact CA-OE2 3.29Å | ||
| 151 | N | 95.7 | Very high | 95.4 | Very high | 92 Ų | 92 | 119.1 Ų | 119.1 | 49% | 0.492 | 57% | 0.566 | S | S | . | * | trans | -111.8 | 9 | -179.2 | 69.7 | 6.9 | 0 | 0 | 0 | 113.8 | H149 G153 L154 | H149-N151 VanDerWaalsContact C-N 3.28Å; H149-N151 PolarHBondContact O-N 3.16Å; N151-G153 PolarHBondContact O-N 3Å; N151-L154 WeakPolarHBondContact O-CB 3.28Å; N151-L154 PolarHBondContact O-N 3.2Å | ||
| 152 | E | 93.8 | Very high | 95.5 | Very high | 101 Ų | 101 | 117.9 Ų | 117.9 | 47% | 0.472 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -57.5 | -29.7 | -173.5 | -58.9 | 88.2 | 161.7 | 0 | 0 | 112.2 | Y150 L154 N155 I156 | Y150-E152 WeakPolarHBondContact CA-OE2 3.29Å; E152-L154 PolarHBondContact O-N 3.06Å; E152-L154 VanDerWaalsContact O-N 3.16Å; E152-N155 PolarHBondContact O-N 2.93Å; E152-I156 WeakPolarHBondContact O-CG1 3.36Å; E152-I156 PolarHBondContact O-N 2.9Å |
| 153 | G | 95.1 | Very high | 95.5 | Very high | 56 Ų | 56 | 116.9 Ų | 116.9 | 58% | 0.577 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -51.4 | -34.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N151 N155 I156 | N151-G153 PolarHBondContact O-N 3Å; G153-N155 VanDerWaalsContact C-N 3.29Å; G153-N155 PolarHBondContact O-N 3.4Å; G153-I156 PolarHBondContact O-N 2.98Å |
| 154 | L | 94.2 | Very high | 95.6 | Very high | 142 Ų | 142 | 116 Ų | 116 | 74% | 0.743 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -63.5 | -36.3 | 179.2 | -177.4 | 61.2 | 0 | 0 | 0 | 112.1 | N151 E152 | N151-L154 WeakPolarHBondContact O-CB 3.28Å; N151-L154 PolarHBondContact O-N 3.2Å; E152-L154 PolarHBondContact O-N 3.06Å; E152-L154 VanDerWaalsContact O-N 3.16Å |
| 155 | N | 94.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 114.5 Ų | 114.5 | 48% | 0.476 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -92.4 | -7.7 | -172.7 | -66.2 | -21.6 | 0 | 0 | 0 | 113.3 | E152 G153 R157 M158 A159 | E152-N155 PolarHBondContact O-N 2.93Å; G153-N155 VanDerWaalsContact C-N 3.29Å; G153-N155 PolarHBondContact O-N 3.4Å; N155-R157 VanDerWaalsContact C-N 3.31Å; N155-R157 PolarHBondContact O-N 3.41Å; N155-M158 PolarHBondContact O-N 3.45Å; N155-A159 WeakPolarHBondContact O-CB 3.43Å; N155-A159 PolarHBondContact O-N 3.35Å |
| 156 | I | 96.7 | Very high | 95.2 | Very high | 84 Ų | 84 | 114.6 Ų | 114.6 | 43% | 0.431 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -55.8 | -44.6 | -176.1 | -66.8 | 178.7 | 0 | 0 | 0 | 111.8 | E152 G153 R160 | E152-I156 WeakPolarHBondContact O-CG1 3.36Å; E152-I156 PolarHBondContact O-N 2.9Å; G153-I156 PolarHBondContact O-N 2.98Å; I156-R160 VanDerWaalsContact O-CG 3.29Å; I156-R160 WeakPolarHBondContact O-CG 3.5Å; I156-R160 PolarHBondContact O-N 3.23Å |
| 157 | R | 94.1 | Very high | 94.9 | Very high | 213 Ų | 213 | 113.8 Ų | 113.8 | 80% | 0.804 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -43.7 | -178.3 | -174.9 | 177.1 | -178.5 | 158.9 | 0.9 | 111.7 | N155 R160 Q161 | N155-R157 VanDerWaalsContact C-N 3.31Å; N155-R157 PolarHBondContact O-N 3.41Å; R157-R160 PolarHBondContact O-N 3.16Å; R157-Q161 PolarHBondContact O-N 3.39Å; R157-Q161 VanDerWaalsContact O-N 3.14Å |
| 158 | M | 94.6 | Very high | 94.5 | Very high | 118 Ų | 118 | 108.3 Ų | 108.3 | 58% | 0.581 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.1 | -44.6 | 179 | -175.6 | 177.2 | 176.8 | 0 | 0 | 111 | N155 R160 Q161 L162 | N155-M158 PolarHBondContact O-N 3.45Å; M158-R160 VanDerWaalsContact C-N 3.33Å; M158-R160 PolarHBondContact O-N 3.49Å; M158-Q161 WeakPolarHBondContact O-CB 3.32Å; M158-Q161 PolarHBondContact O-N 3.02Å; M158-Q161 VanDerWaalsContact O-N 3.09Å; M158-L162 HydrophobicContact CE-CD1 4.41Å; M158-L162 HydrophobicContact CG-CD1 4.42Å; M158-L162 WeakPolarHBondContact O-CG 3.47Å; M158-L162 PolarHBondContact O-N 2.88Å |
| 159 | A | 96.2 | Very high | 93.9 | Very high | 45 Ų | 45 | 107.4 Ų | 107.4 | 37% | 0.372 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N155 Q161 L162 I163 | N155-A159 WeakPolarHBondContact O-CB 3.43Å; N155-A159 PolarHBondContact O-N 3.35Å; A159-Q161 VanDerWaalsContact C-N 3.29Å; A159-Q161 PolarHBondContact O-N 3.49Å; A159-L162 PolarHBondContact O-N 3.44Å; A159-I163 WeakPolarHBondContact O-CD1 3.37Å; A159-I163 VanDerWaalsContact O-CG1 3.28Å; A159-I163 WeakPolarHBondContact O-CG1 3.45Å; A159-I163 PolarHBondContact O-N 3.22Å |
| 160 | R | 96.6 | Very high | 92.7 | Very high | 180 Ų | 180 | 106.6 Ų | 106.6 | 68% | 0.679 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.5 | -40.6 | 174.1 | -74.9 | 174.5 | -177 | -178.4 | 2.1 | 112.5 | I156 R157 M158 A164 | I156-R160 VanDerWaalsContact O-CG 3.29Å; I156-R160 WeakPolarHBondContact O-CG 3.5Å; I156-R160 PolarHBondContact O-N 3.23Å; R157-R160 PolarHBondContact O-N 3.16Å; M158-R160 VanDerWaalsContact C-N 3.33Å; M158-R160 PolarHBondContact O-N 3.49Å; R160-A164 WeakPolarHBondContact O-CB 3.49Å; R160-A164 PolarHBondContact O-N 3.48Å |
| 161 | Q | 96.1 | Very high | 91.3 | Very high | 117 Ų | 117 | 102.8 Ų | 102.8 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 178 | -174.6 | 175 | 7.3 | 0 | 0 | 111.9 | R157 M158 A159 I163 A164 N165 | R157-Q161 PolarHBondContact O-N 3.39Å; R157-Q161 VanDerWaalsContact O-N 3.14Å; M158-Q161 WeakPolarHBondContact O-CB 3.32Å; M158-Q161 PolarHBondContact O-N 3.02Å; M158-Q161 VanDerWaalsContact O-N 3.09Å; A159-Q161 VanDerWaalsContact C-N 3.29Å; A159-Q161 PolarHBondContact O-N 3.49Å; Q161-I163 VanDerWaalsContact C-N 3.35Å; Q161-I163 PolarHBondContact O-N 3.03Å; Q161-A164 PolarHBondContact O-N 3Å; Q161-N165 VanDerWaalsContact O-CG 3.32Å; Q161-N165 PolarHBondContact O-N 3.19Å; Q161-N165 PolarHBondContact O-OD1 3.43Å |
| 162 | L | 95.9 | Very high | 89.7 | Confident | 102 Ų | 102 | 103.4 Ų | 103.4 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 176.1 | -70.7 | 173.9 | 0 | 0 | 0 | 111.5 | M158 A159 A164 N165 E166 | M158-L162 HydrophobicContact CE-CD1 4.41Å; M158-L162 HydrophobicContact CG-CD1 4.42Å; M158-L162 WeakPolarHBondContact O-CG 3.47Å; M158-L162 PolarHBondContact O-N 2.88Å; A159-L162 PolarHBondContact O-N 3.44Å; L162-A164 VanDerWaalsContact C-N 3.33Å; L162-A164 PolarHBondContact O-N 3.3Å; L162-N165 PolarHBondContact O-N 3.07Å; L162-E166 WeakPolarHBondContact O-CB 3.48Å; L162-E166 PolarHBondContact O-N 2.92Å |
| 163 | I | 94.3 | Very high | 88 | Confident | 109 Ų | 109 | 104.1 Ų | 104.1 | 56% | 0.559 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61 | -42.3 | 175.8 | -65.7 | 163.5 | 0 | 0 | 0 | 111.1 | A159 Q161 L167 | A159-I163 WeakPolarHBondContact O-CD1 3.37Å; A159-I163 VanDerWaalsContact O-CG1 3.28Å; A159-I163 WeakPolarHBondContact O-CG1 3.45Å; A159-I163 PolarHBondContact O-N 3.22Å; Q161-I163 VanDerWaalsContact C-N 3.35Å; Q161-I163 PolarHBondContact O-N 3.03Å; I163-L167 WeakPolarHBondContact O-CB 3.41Å; I163-L167 PolarHBondContact O-N 3.09Å |
| 164 | A | 94.9 | Very high | 86.3 | Confident | 56 Ų | 56 | 107.3 Ų | 107.3 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R160 Q161 L162 A168 | R160-A164 WeakPolarHBondContact O-CB 3.49Å; R160-A164 PolarHBondContact O-N 3.48Å; Q161-A164 PolarHBondContact O-N 3Å; L162-A164 VanDerWaalsContact C-N 3.33Å; L162-A164 PolarHBondContact O-N 3.3Å; A164-A168 WeakPolarHBondContact O-CB 3.38Å; A164-A168 PolarHBondContact O-N 3.44Å |
| 165 | N | 92.3 | Very high | 84.6 | Confident | 79 Ų | 79 | 106.5 Ų | 106.5 | 42% | 0.422 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.1 | -44.9 | 176.9 | -70.3 | 3.4 | 0 | 0 | 0 | 111.5 | Q161 L162 L167 A168 E169 | Q161-N165 VanDerWaalsContact O-CG 3.32Å; Q161-N165 PolarHBondContact O-N 3.19Å; Q161-N165 PolarHBondContact O-OD1 3.43Å; L162-N165 PolarHBondContact O-N 3.07Å; N165-L167 VanDerWaalsContact C-N 3.29Å; N165-L167 PolarHBondContact O-N 3.14Å; N165-A168 PolarHBondContact O-N 3.28Å; N165-A168 VanDerWaalsContact O-N 3.14Å; N165-E169 WeakPolarHBondContact O-CG 3.25Å; N165-E169 PolarHBondContact O-N 2.85Å |
| 166 | E | 91.5 | Very high | 82.7 | Confident | 121 Ų | 121 | 109.4 Ų | 109.4 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -56.4 | -44.5 | 175.9 | -177.6 | 176.2 | -170.3 | 0 | 0 | 110.9 | L162 A168 E169 E170 | L162-E166 WeakPolarHBondContact O-CB 3.48Å; L162-E166 PolarHBondContact O-N 2.92Å; E166-A168 PolarHBondContact O-N 3.36Å; E166-E169 PolarHBondContact O-N 2.91Å; E166-E170 PolarHBondContact O-N 3.38Å |
| 167 | L | 91.4 | Very high | 80.8 | Confident | 108 Ų | 108 | 111.6 Ų | 111.6 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66 | -37.3 | 176.8 | -172.4 | 64.9 | 0 | 0 | 0 | 112.9 | I163 N165 E170 V171 | I163-L167 WeakPolarHBondContact O-CB 3.41Å; I163-L167 PolarHBondContact O-N 3.09Å; N165-L167 VanDerWaalsContact C-N 3.29Å; N165-L167 PolarHBondContact O-N 3.14Å; L167-E170 PolarHBondContact O-N 3.4Å; L167-V171 WeakPolarHBondContact O-CG2 3.49Å; L167-V171 PolarHBondContact O-N 3.48Å |
| 168 | A | 87.4 | Confident | 79 | Confident | 49 Ų | 49 | 109.4 Ų | 109.4 | 41% | 0.405 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.6 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A164 N165 E166 E170 V171 D172 | A164-A168 WeakPolarHBondContact O-CB 3.38Å; A164-A168 PolarHBondContact O-N 3.44Å; N165-A168 PolarHBondContact O-N 3.28Å; N165-A168 VanDerWaalsContact O-N 3.14Å; E166-A168 PolarHBondContact O-N 3.36Å; A168-E170 PolarHBondContact O-N 3.21Å; A168-V171 PolarHBondContact O-N 3.02Å; A168-V171 VanDerWaalsContact O-N 3.16Å; A168-D172 PolarHBondContact O-N 3.32Å; A168-D172 VanDerWaalsContact O-N 3.1Å |
| 169 | E | 81.7 | Confident | 77.1 | Confident | 116 Ų | 116 | 109.8 Ų | 109.8 | 54% | 0.542 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.4 | -21.1 | 176.5 | -73.8 | -178.3 | -159.9 | 0 | 0 | 113.8 | N165 E166 K173 | N165-E169 WeakPolarHBondContact O-CG 3.25Å; N165-E169 PolarHBondContact O-N 2.85Å; E166-E169 PolarHBondContact O-N 2.91Å; E169-K173 WeakPolarHBondContact O-CD 3.34Å; E169-K173 WeakPolarHBondContact O-CG 3.42Å; E169-K173 PolarHBondContact O-NZ 3.27Å |
| 170 | E | 72.3 | Confident | 75.1 | Confident | 108 Ų | 108 | 114.5 Ų | 114.5 | 51% | 0.505 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -77.1 | -39.7 | 170.6 | -73.7 | -170.4 | 165.1 | 0 | 0 | 111.7 | E166 L167 A168 K173 D174 | E166-E170 PolarHBondContact O-N 3.38Å; L167-E170 PolarHBondContact O-N 3.4Å; A168-E170 PolarHBondContact O-N 3.21Å; E170-K173 PolarHBondContact O-N 3.26Å; E170-D174 PolarHBondContact O-N 2.94Å |
| 171 | V | 68.2 | Low | 73.2 | Confident | 73 Ų | 73 | 110.7 Ų | 110.7 | 44% | 0.442 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65 | -44 | 177.8 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | L167 A168 K173 D174 E175 | L167-V171 WeakPolarHBondContact O-CG2 3.49Å; L167-V171 PolarHBondContact O-N 3.48Å; A168-V171 PolarHBondContact O-N 3.02Å; A168-V171 VanDerWaalsContact O-N 3.16Å; V171-K173 VanDerWaalsContact C-N 3.31Å; V171-K173 PolarHBondContact O-N 3.32Å; V171-D174 PolarHBondContact O-N 3.14Å; V171-E175 PolarHBondContact O-N 3.39Å; V171-E175 VanDerWaalsContact O-N 3.11Å |
| 172 | D | 61.3 | Low | 71.3 | Confident | 105 Ų | 105 | 111.5 Ų | 111.5 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.3 | -34.7 | -179.2 | -70.6 | -16.9 | 0 | 0 | 0 | 112.2 | A168 E176 | A168-D172 PolarHBondContact O-N 3.32Å; A168-D172 VanDerWaalsContact O-N 3.1Å; D172-E176 PolarHBondContact O-N 3.22Å; D172-E176 VanDerWaalsContact O-N 3.14Å |
| 173 | K | 60 | Low | 69.3 | Low | 116 Ų | 116 | 113.8 Ų | 113.8 | 50% | 0.504 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70 | -35.6 | 175.8 | -72.6 | 173.3 | -167.7 | 125.1 | 0 | 112.7 | E169 E170 V171 M177 | E169-K173 WeakPolarHBondContact O-CD 3.34Å; E169-K173 WeakPolarHBondContact O-CG 3.42Å; E169-K173 PolarHBondContact O-NZ 3.27Å; E170-K173 PolarHBondContact O-N 3.26Å; V171-K173 VanDerWaalsContact C-N 3.31Å; V171-K173 PolarHBondContact O-N 3.32Å; K173-M177 VanDerWaalsContact O-CG 3.25Å; K173-M177 WeakPolarHBondContact O-CG 3.41Å; K173-M177 PolarHBondContact O-N 3.37Å |
| 174 | D | 57.5 | Low | 67.5 | Low | 123 Ų | 123 | 114.9 Ų | 114.9 | 66% | 0.658 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.3 | -30.9 | 178 | -77.9 | -15.6 | 0 | 0 | 0 | 112 | E170 V171 | E170-D174 PolarHBondContact O-N 2.94Å; V171-D174 PolarHBondContact O-N 3.14Å |
| 175 | E | 58.6 | Low | 65.6 | Low | 126 Ų | 126 | 119 Ų | 119 | 59% | 0.589 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.6 | -42.4 | 173.2 | -72 | -167.5 | 170.2 | 0 | 0 | 112.5 | V171 M177 R178 D179 | V171-E175 PolarHBondContact O-N 3.39Å; V171-E175 VanDerWaalsContact O-N 3.11Å; E175-M177 VanDerWaalsContact C-N 3.28Å; E175-M177 PolarHBondContact O-N 3.1Å; E175-R178 WeakPolarHBondContact O-CB 3.46Å; E175-R178 PolarHBondContact O-N 3.31Å; E175-D179 PolarHBondContact O-N 3.11Å |
| 176 | E | 55.3 | Low | 63.9 | Low | 150 Ų | 150 | 120.8 Ų | 120.8 | 70% | 0.701 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.9 | -32.1 | 179.6 | -144 | 173.1 | -155.4 | 0 | 0 | 112.4 | D172 R178 | D172-E176 PolarHBondContact O-N 3.22Å; D172-E176 VanDerWaalsContact O-N 3.14Å; E176-R178 VanDerWaalsContact C-N 3.31Å; E176-R178 PolarHBondContact O-N 2.9Å |
| 177 | M | 56.9 | Low | 62.1 | Low | 129 Ų | 129 | 121.8 Ų | 121.8 | 64% | 0.635 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.9 | -15.7 | 174.6 | -67.5 | -67.9 | -65.4 | 0 | 0 | 113.8 | K173 E175 | K173-M177 VanDerWaalsContact O-CG 3.25Å; K173-M177 WeakPolarHBondContact O-CG 3.41Å; K173-M177 PolarHBondContact O-N 3.37Å; E175-M177 VanDerWaalsContact C-N 3.28Å; E175-M177 PolarHBondContact O-N 3.1Å |
| 178 | R | 57 | Low | 60.4 | Low | 167 Ų | 167 | 121 Ų | 121 | 63% | 0.63 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -84.5 | -39.2 | 179.9 | -164.6 | 175.2 | 178.1 | -137.9 | -10.8 | 111.4 | E175 E176 E180 T181 | E175-R178 WeakPolarHBondContact O-CB 3.46Å; E175-R178 PolarHBondContact O-N 3.31Å; E176-R178 VanDerWaalsContact C-N 3.31Å; E176-R178 PolarHBondContact O-N 2.9Å; R178-E180 VanDerWaalsContact C-N 3.35Å; R178-E180 PolarHBondContact O-N 3.14Å; R178-T181 PolarHBondContact O-N 3.3Å; R178-T181 PolarHBondContact O-OG1 3.09Å |
| 179 | D | 53.8 | Low | 58.7 | Low | 126 Ų | 126 | 124.4 Ų | 124.4 | 67% | 0.674 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.2 | -29.4 | -179.8 | -85.2 | -7.3 | 0 | 0 | 0 | 113.3 | E175 T181 | E175-D179 PolarHBondContact O-N 3.11Å; D179-T181 PolarHBondContact O-N 3.12Å |
| 180 | E | 54.6 | Low | 57.2 | Low | 145 Ų | 145 | 128 Ų | 128 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -15.3 | 176.9 | -67.9 | -169.3 | 165.2 | 0 | 0 | 114.1 | R178 | R178-E180 VanDerWaalsContact C-N 3.35Å; R178-E180 PolarHBondContact O-N 3.14Å |
| 181 | T | 57.2 | Low | 56 | Low | 100 Ų | 100 | 127.2 Ų | 127.2 | 61% | 0.613 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -13.2 | -176.5 | 64 | 0 | 0 | 0 | 0 | 114.8 | R178 D179 | R178-T181 PolarHBondContact O-N 3.3Å; R178-T181 PolarHBondContact O-OG1 3.09Å; D179-T181 PolarHBondContact O-N 3.12Å |
| 182 | E | 55.8 | Low | 55.4 | Low | 133 Ų | 133 | 128.6 Ų | 128.6 | 62% | 0.621 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -88.1 | -11.8 | -177.3 | -62.8 | -145.3 | 173.4 | 0 | 0 | 114 | ||
| 183 | D | 53.9 | Low | 55 | Low | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -90.4 | -1.7 | -179.5 | -84.3 | -24 | 0 | 0 | 0 | 115.2 | N185 | D183-N185 PolarHBondContact O-N 2.99Š|
| 184 | I | 55.4 | Low | 54.4 | Low | 132 Ų | 132 | 133 Ų | 133 | 68% | 0.677 | 72% | 0.718 | S | S | * | * | trans | -87.4 | 63.8 | 172.5 | -57.5 | 167.8 | 0 | 0 | 0 | 109.1 | V186 | I184-V186 VanDerWaalsContact C-N 3.32Å; I184-V186 HydrophobicContact CG2-CG2 3.63Å; I184-V186 PolarHBondContact O-N 3.02Å | ||
| 185 | N | 54.7 | Low | 54.3 | Low | 143 Ų | 143 | 136.5 Ų | 136.5 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | trans | -74 | 88.7 | 166 | -172.2 | 21.9 | 0 | 0 | 0 | 108.7 | D183 D187 | D183-N185 PolarHBondContact O-N 2.99Å; N185-D187 VanDerWaalsContact C-N 3.34Å; N185-D187 PolarHBondContact O-N 3.06Å | ||
| 186 | V | 57.5 | Low | 54.1 | Low | 115 Ų | 115 | 137 Ų | 137 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | trans | -70.5 | 91.1 | 172.4 | -173.4 | 0 | 0 | 0 | 0 | 108.2 | I184 S188 | I184-V186 VanDerWaalsContact C-N 3.32Å; I184-V186 HydrophobicContact CG2-CG2 3.63Å; I184-V186 PolarHBondContact O-N 3.02Å; V186-S188 PolarHBondContact O-N 3.26Å; V186-S188 VanDerWaalsContact O-N 3.09Å | ||
| 187 | D | 54.2 | Low | 54 | Low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -59.4 | 112.2 | 172 | -168.1 | 39.3 | 0 | 0 | 0 | 109.3 | N185 | N185-D187 VanDerWaalsContact C-N 3.34Å; N185-D187 PolarHBondContact O-N 3.06Å | ||
| 188 | S | 54.9 | Low | 53.9 | Low | 93 Ų | 93 | 136.7 Ų | 136.7 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 129.3 | -176.3 | -169.7 | 0 | 0 | 0 | 0 | 109.1 | V186 Q190 | V186-S188 PolarHBondContact O-N 3.26Å; V186-S188 VanDerWaalsContact O-N 3.09Å; S188-Q190 PolarHBondContact O-N 3.44Å; S188-Q190 VanDerWaalsContact O-N 3.12Å |
| 189 | P | 52.4 | Low | 53.7 | Low | 119 Ų | 119 | 134.9 Ų | 134.9 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 117.4 | -171.5 | 25.2 | -31.9 | 0 | 0 | 0 | 111.2 | A191 | P189-A191 PolarHBondContact O-N 3.28Š|
| 190 | Q | 49.8 | Very low | 53.7 | Low | 191 Ų | 191 | 135.5 Ų | 135.5 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 121.1 | 179.3 | -147.8 | 121.1 | 15.7 | 0 | 0 | 110.7 | S188 | S188-Q190 PolarHBondContact O-N 3.44Å; S188-Q190 VanDerWaalsContact O-N 3.12Å |
| 191 | A | 48.1 | Very low | 53.6 | Low | 92 Ų | 92 | 134.9 Ų | 134.9 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 133.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P189 | P189-A191 PolarHBondContact O-N 3.28Š|
| 192 | A | 54.1 | Low | 53.3 | Low | 103 Ų | 103 | 137.4 Ų | 137.4 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 120.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 193 | L | 54.2 | Low | 53.2 | Low | 158 Ų | 158 | 137.7 Ų | 137.7 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | -140.9 | 120.6 | 159 | -71.1 | 169.1 | 0 | 0 | 0 | 103.6 | ||||
| 194 | D | 46.4 | Very low | 53.1 | Low | 155 Ų | 155 | 136.6 Ų | 136.6 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | -155.8 | 152.8 | 57.7 | -90.7 | -31.8 | 0 | 0 | 0 | 111.4 | |||||
| 195 | S | 55.5 | Low | 52.9 | Low | 196 Ų | 196 | 137 Ų | 137 | 100% | 1.371 | 83% | 0.834 | S | S | * | * | trans | -129.1 | 0 | 153.6 | -73.5 | 0 | 0 | 0 | 0 | 109 |
Retrieved 195 of 195 residues in 335 ms
(Link to these results)