| 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 | 42.9 | Very low | 50.5 | Low | 243 Ų | 243 | 166.8 Ų | 166.8 | 100% | 1.197 | 84% | 0.843 | S | S | * | * | 0 | 103 | 0 | -65.2 | 178.6 | 179.8 | 0 | 0 | 106.2 | |||||
| 2 | T | 55.5 | Low | 50.9 | Low | 146 Ų | 146 | 162.3 Ų | 162.3 | 90% | 0.896 | 83% | 0.83 | S | S | * | * | trans | -140.8 | 99.4 | -174 | 9.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3 | E | 46.2 | Very low | 50.8 | Low | 189 Ų | 189 | 163.1 Ų | 163.1 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -86.3 | 137.3 | 163 | -84.4 | -149.3 | 106.5 | 0 | 0 | 108.8 | ||||
| 4 | Q | 44.9 | Very low | 51.1 | Low | 173 Ų | 173 | 165.1 Ų | 165.1 | 81% | 0.808 | 84% | 0.835 | S | S | * | * | -172.5 | 113 | 128.3 | -104.1 | -174 | 1.4 | 0 | 0 | 112.7 | |||||
| 5 | I | 59.2 | Low | 50.9 | Low | 129 Ų | 129 | 165.4 Ų | 165.4 | 66% | 0.662 | 83% | 0.832 | S | S | * | * | trans | 68.5 | 108.7 | 138.3 | -47.7 | 151.3 | 0 | 0 | 0 | 118.7 | ||||
| 6 | P | 54.1 | Low | 50.3 | Low | 111 Ų | 111 | 169.4 Ų | 169.4 | 72% | 0.721 | 83% | 0.834 | S | S | * | * | trans | -82.8 | 129.3 | 163.8 | 31.1 | -28.4 | 0 | 0 | 0 | 111.9 | Q8 | P6-Q8 PolarHBondContact O-N 3.39Š| ||
| 7 | F | 52.1 | Low | 50.8 | Low | 205 Ų | 205 | 166.1 Ų | 166.1 | 90% | 0.899 | 82% | 0.819 | S | S | * | * | trans | -71.1 | 103.6 | 171.7 | -128.9 | -92.1 | 0 | 0 | 0 | 109.8 | R9 | F7-R9 PolarHBondContact O-N 3.25Š| ||
| 8 | Q | 52 | Low | 50.5 | Low | 171 Ų | 171 | 162.3 Ų | 162.3 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -82.8 | 107.1 | 170.5 | -72.6 | -168.9 | -3 | 0 | 0 | 110.2 | P6 | P6-Q8 PolarHBondContact O-N 3.39Š| ||
| 9 | R | 50.2 | Low | 50.5 | Low | 239 Ų | 239 | 165 Ų | 165 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -98.9 | 94.1 | 169.6 | -160.9 | 179.2 | -167.5 | -177.4 | 4.2 | 108.4 | F7 S11 | F7-R9 PolarHBondContact O-N 3.25Å; R9-S11 PolarHBondContact O-N 3.41Å | ||
| 10 | T | 51.1 | Low | 50.4 | Low | 117 Ų | 117 | 163.6 Ų | 163.6 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | trans | -80.7 | 111 | 173.5 | 61 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 11 | S | 47.6 | Very low | 49.9 | Very low | 112 Ų | 112 | 159.7 Ų | 159.7 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -94.2 | 117.6 | 164.5 | 172.1 | 0 | 0 | 0 | 0 | 107.9 | R9 | R9-S11 PolarHBondContact O-N 3.41Š| ||
| 12 | T | 54.5 | Low | 50.3 | Low | 113 Ų | 113 | 153.6 Ų | 153.6 | 69% | 0.693 | 80% | 0.796 | S | S | * | * | trans | -95.5 | 107 | 170.4 | 57.3 | 0 | 0 | 0 | 0 | 109.2 | K14 | T12-K14 PolarHBondContact O-N 3.35Š| ||
| 13 | L | 49.6 | Very low | 49.8 | Very low | 172 Ų | 172 | 153.3 Ų | 153.3 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -64.1 | 116.3 | 161.4 | -90.7 | 154 | 0 | 0 | 0 | 108.7 | ||||
| 14 | K | 55.2 | Low | 49.6 | Very low | 191 Ų | 191 | 147.4 Ų | 147.4 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | -123.8 | 107.9 | 167.3 | -82.1 | -172.1 | 175 | -177.8 | 0 | 110.8 | T12 | T12-K14 PolarHBondContact O-N 3.35Š| ||
| 15 | H | 48.6 | Very low | 49.4 | Very low | 170 Ų | 170 | 147 Ų | 147 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | trans | 42.2 | 112.2 | 149.5 | -110.4 | -84 | 0 | 0 | 0 | 120.2 | I17 | H15-I17 PolarHBondContact O-N 3.28Š| ||
| 16 | R | 40.4 | Very low | 48.6 | Very low | 230 Ų | 230 | 148.6 Ų | 148.6 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -56.4 | 115.6 | 153.8 | -172.3 | -179.9 | -172.2 | 177.7 | 2.8 | 108.9 | ||||
| 17 | I | 59.9 | Low | 48.3 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 57% | 0.574 | 79% | 0.789 | S | S | * | * | trans | -105.7 | 109.1 | 166.1 | -59.8 | 174.1 | 0 | 0 | 0 | 106.8 | H15 R19 | H15-I17 PolarHBondContact O-N 3.28Å; I17-R19 HydrophobicContact CG2-CG 3.56Å; I17-R19 PolarHBondContact O-N 3.28Å | ||
| 18 | S | 45.2 | Very low | 48 | Very low | 99 Ų | 99 | 147.5 Ų | 147.5 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -73.2 | 104.1 | 163.8 | -59.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 19 | R | 49.5 | Very low | 47.7 | Very low | 213 Ų | 213 | 146 Ų | 146 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -94.1 | 98.7 | 171.3 | -64 | -168.7 | -171.9 | -146.4 | 1.3 | 109.2 | I17 | I17-R19 HydrophobicContact CG2-CG 3.56Å; I17-R19 PolarHBondContact O-N 3.28Å | ||
| 20 | T | 49.1 | Very low | 47.5 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -69.6 | 118.7 | 155.1 | 49.2 | 0 | 0 | 0 | 0 | 107.5 | S22 | T20-S22 PolarHBondContact O-N 3.48Š| ||
| 21 | G | 41 | Very low | 47 | Very low | 82 Ų | 82 | 144.5 Ų | 144.5 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -73.5 | 113.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 22 | S | 49.8 | Very low | 46.8 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 134.4 | 165.4 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | T20 G24 | T20-S22 PolarHBondContact O-N 3.48Å; S22-G24 PolarHBondContact O-N 3.35Å |
| 23 | V | 46.4 | Very low | 46.1 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 121.5 | 168.3 | 175.7 | 0 | 0 | 0 | 0 | 107.8 | ||
| 24 | G | 41.1 | Very low | 45.6 | Very low | 65 Ų | 65 | 140.4 Ų | 140.4 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 134.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | S22 | S22-G24 PolarHBondContact O-N 3.35Š|
| 25 | Q | 41.8 | Very low | 45 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -92.1 | 113.1 | -179.9 | 176.3 | 179.1 | -11.9 | 0 | 0 | 109 | ||||
| 26 | D | 41.9 | Very low | 44.7 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -88.3 | 106.7 | 172.2 | -73.5 | -32.6 | 0 | 0 | 0 | 109.5 | ||||
| 27 | N | 47.1 | Very low | 44.8 | Very low | 125 Ų | 125 | 133 Ų | 133 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | trans | -78.1 | 120.8 | 168.5 | -80.5 | -27.1 | 0 | 0 | 0 | 109.5 | ||||
| 28 | N | 46.5 | Very low | 43.9 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | -110.4 | 115.6 | 165.5 | -98.9 | -18.5 | 0 | 0 | 0 | 110 | ||||
| 29 | N | 44.7 | Very low | 43.7 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -75.3 | 128.8 | 174.9 | -68.1 | -30.1 | 0 | 0 | 0 | 110.4 | ||||
| 30 | N | 45.4 | Very low | 43.4 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -135.5 | 109.9 | 153.1 | -91.4 | -19.7 | 0 | 0 | 0 | 108.1 | ||||
| 31 | I | 41.8 | Very low | 43 | Very low | 161 Ų | 161 | 127 Ų | 127 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -96 | 112 | 175.4 | -65.7 | 168.3 | 0 | 0 | 0 | 106.8 | ||||
| 32 | T | 42.9 | Very low | 42.9 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -151.3 | 118 | 160.5 | -41.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 33 | G | 40.6 | Very low | 42.8 | Very low | 63 Ų | 63 | 131 Ų | 131 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | trans | 62.2 | 92.2 | 140.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 34 | S | 38.5 | Very low | 42.6 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | 31.4 | 139.2 | 124.5 | 64.2 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 35 | I | 43.6 | Very low | 43 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | 119 | 103.2 | 145.1 | -55 | 166.3 | 0 | 0 | 0 | 116.1 | ||||
| 36 | N | 42.6 | Very low | 43.3 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 47.3 | 120.9 | 134.4 | -58.4 | -13 | 0 | 0 | 0 | 124.3 | ||||
| 37 | I | 41.4 | Very low | 43.5 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | 46.9 | 112.7 | 120.2 | -47.6 | 161.8 | 0 | 0 | 0 | 117.5 | |||||
| 38 | S | 41.8 | Very low | 43.2 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | -171.3 | 149.4 | 119.7 | -161 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 39 | S | 39.5 | Very low | 42.9 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -47.4 | 152.4 | 178.3 | 52.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 40 | G | 44.7 | Very low | 42.7 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | 136.3 | 124.7 | 139.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 41 | I | 39.3 | Very low | 42.8 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | 87.4 | 95.3 | 151.1 | -49.6 | 167.3 | 0 | 0 | 0 | 115.8 | T43 | I41-T43 HydrophobicContact CG2-CG2 3.71Å; I41-T43 PolarHBondContact O-N 3.16Å | ||
| 42 | N | 40.2 | Very low | 43 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 94% | 0.936 | 76% | 0.761 | S | S | * | * | trans | -69.9 | 105.4 | 154.3 | -70.8 | -41.3 | 0 | 0 | 0 | 108.9 | ||||
| 43 | T | 47.9 | Very low | 43.3 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 64% | 0.644 | 75% | 0.754 | S | S | * | * | trans | -118.8 | 117.4 | 158 | 44.6 | 0 | 0 | 0 | 0 | 108.1 | I41 I45 | I41-T43 HydrophobicContact CG2-CG2 3.71Å; I41-T43 PolarHBondContact O-N 3.16Å; T43-I45 PolarHBondContact O-N 3.47Å | ||
| 44 | G | 41 | Very low | 43.8 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | trans | -62.5 | 106.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 45 | I | 49.1 | Very low | 44.2 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | -99.3 | 106.9 | 160.9 | -61.4 | -174.3 | 0 | 0 | 0 | 105.7 | T43 Q47 | T43-I45 PolarHBondContact O-N 3.47Å; I45-Q47 VanDerWaalsContact C-N 3.27Å; I45-Q47 PolarHBondContact O-N 2.93Å | ||
| 46 | Q | 48.3 | Very low | 44.6 | Very low | 186 Ų | 186 | 129.1 Ų | 129.1 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | trans | -54.5 | 96.5 | 163.4 | -75.9 | -179.2 | -19.2 | 0 | 0 | 107.8 | Q48 | Q46-Q48 PolarHBondContact O-N 3.34Š| ||
| 47 | Q | 45.8 | Very low | 45.1 | Very low | 175 Ų | 175 | 124.4 Ų | 124.4 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -77.2 | 80.9 | 173.5 | -146.6 | 172.2 | 46.7 | 0 | 0 | 106.8 | I45 S49 | I45-Q47 VanDerWaalsContact C-N 3.27Å; I45-Q47 PolarHBondContact O-N 2.93Å; Q47-S49 PolarHBondContact O-N 3.48Å | ||
| 48 | Q | 42.2 | Very low | 45.8 | Very low | 187 Ų | 187 | 124.3 Ų | 124.3 | 87% | 0.874 | 70% | 0.698 | S | S | * | * | trans | -71.2 | 71.7 | 166 | -161.2 | 174.4 | 62.5 | 0 | 0 | 107 | Q46 S50 | Q46-Q48 PolarHBondContact O-N 3.34Å; Q48-S50 PolarHBondContact O-N 3.48Å | ||
| 49 | S | 39.4 | Very low | 47 | Very low | 85 Ų | 85 | 127 Ų | 127 | 59% | 0.594 | 70% | 0.696 | S | S | * | * | trans | -71.4 | 87.7 | 171.9 | 61.6 | 0 | 0 | 0 | 0 | 107.6 | Q47 I51 | Q47-S49 PolarHBondContact O-N 3.48Å; S49-I51 PolarHBondContact O-N 2.96Å | ||
| 50 | S | 41.5 | Very low | 48.8 | Very low | 90 Ų | 90 | 126 Ų | 126 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | trans | -62.5 | 94.1 | 154.6 | 176.9 | 0 | 0 | 0 | 0 | 106.2 | Q48 R52 | Q48-S50 PolarHBondContact O-N 3.48Å; S50-R52 PolarHBondContact O-N 3.03Å | ||
| 51 | I | 47.7 | Very low | 50.8 | Low | 122 Ų | 122 | 126.3 Ų | 126.3 | 63% | 0.626 | 66% | 0.66 | S | S | * | * | trans | -63.3 | 88.6 | 163.6 | -59.4 | 175.4 | 0 | 0 | 0 | 105 | S49 R53 | S49-I51 PolarHBondContact O-N 2.96Å; I51-R53 HydrophobicContact CG2-CG 3.76Å; I51-R53 PolarHBondContact O-N 3.01Å | ||
| 52 | R | 44.3 | Very low | 53.2 | Low | 222 Ų | 222 | 120.6 Ų | 120.6 | 84% | 0.838 | 64% | 0.637 | S | S | * | * | trans | -66.4 | 82.9 | 162.4 | -79.3 | -164.6 | -86.4 | -108.6 | 2.4 | 106.2 | S50 A54 | S50-R52 PolarHBondContact O-N 3.03Å; R52-A54 PolarHBondContact O-N 3.2Å | ||
| 53 | R | 49.3 | Very low | 55.7 | Low | 188 Ų | 188 | 118 Ų | 118 | 71% | 0.709 | 62% | 0.619 | S | S | * | * | trans | -52.7 | 114.8 | 172.7 | -67.4 | -175.6 | -172.8 | 102.9 | -0.6 | 106.2 | I51 S55 | I51-R53 HydrophobicContact CG2-CG 3.76Å; I51-R53 PolarHBondContact O-N 3.01Å; R53-S55 PolarHBondContact O-N 3.33Å | ||
| 54 | A | 50.9 | Low | 57.7 | Low | 90 Ų | 90 | 116.6 Ų | 116.6 | 74% | 0.744 | 61% | 0.607 | S | S | * | * | trans | -47.2 | 128.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | R52 V56 | R52-A54 PolarHBondContact O-N 3.2Å; A54-V56 PolarHBondContact O-N 3.04Å | ||
| 55 | S | 46.9 | Very low | 60.2 | Low | 76 Ų | 76 | 119.1 Ų | 119.1 | 53% | 0.531 | 60% | 0.596 | S | S | . | * | trans | -52.2 | 103.5 | -169 | 47.9 | 0 | 0 | 0 | 0 | 110.2 | R53 M57 Q58 | R53-S55 PolarHBondContact O-N 3.33Å; S55-M57 PolarHBondContact O-N 2.83Å; S55-Q58 PolarHBondContact O-N 2.97Å | ||
| 56 | V | 53.4 | Low | 62.1 | Low | 54 Ų | 54 | 116.6 Ų | 116.6 | 33% | 0.327 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -56.7 | -18.8 | -175.4 | 174.7 | 0 | 0 | 0 | 0 | 112 | A54 Q58 K59 Y60 | A54-V56 PolarHBondContact O-N 3.04Å; V56-Q58 VanDerWaalsContact C-N 3.27Å; V56-Q58 PolarHBondContact O-N 3.26Å; V56-K59 PolarHBondContact O-N 2.6Å; V56-Y60 HydrophobicContact CG1-CD2 4.09Å; V56-Y60 HydrophobicContact CG1-CE2 3.95Å |
| 57 | M | 52.2 | Low | 64 | Low | 31 Ų | 31 | 114.6 Ų | 114.6 | 15% | 0.153 | 58% | 0.58 | C | S | . | * | G | 310 helix | trans | -47 | -43.5 | 174.2 | -60.3 | -87.1 | 97.9 | 0 | 0 | 113.5 | S55 K59 L78 T82 I86 I90 | S55-M57 PolarHBondContact O-N 2.83Å; M57-K59 PolarHBondContact O-N 3.3Å; M57-L78 HydrophobicContact CE-CB 3.97Å; M57-L78 HydrophobicContact CE-CD2 3.33Å; M57-L78 HydrophobicContact CE-CG 4.23Å; M57-L78 HydrophobicContact SD-CD2 3.39Å; M57-L78 WeakPolarHBondContact SD-CD2 3.25Å; M57-T82 HydrophobicContact CE-CG2 3.94Å; M57-T82 WeakPolarHBondContact CE-OG1 3.34Å; M57-T82 HydrophobicContact SD-CG2 3.87Å; M57-I86 HydrophobicContact SD-CG2 3.84Å; M57-I90 HydrophobicContact SD-CD1 4.45Å |
| 58 | Q | 57.2 | Low | 66.1 | Low | 155 Ų | 155 | 110.1 Ų | 110.1 | 72% | 0.724 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -72.1 | -29.4 | -174.1 | -75.6 | -176.8 | -54.4 | 0 | 0 | 113 | S55 V56 Y60 | S55-Q58 PolarHBondContact O-N 2.97Å; V56-Q58 VanDerWaalsContact C-N 3.27Å; V56-Q58 PolarHBondContact O-N 3.26Å; Q58-Y60 PolarHBondContact O-N 3.23Å; Q58-Y60 VanDerWaalsContact O-N 3.15Å |
| 59 | K | 65.4 | Low | 67.9 | Low | 166 Ų | 166 | 105.9 Ų | 105.9 | 72% | 0.722 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -67.8 | -16.3 | -176.2 | -172.8 | 166.3 | 177.1 | 171.3 | 0 | 112.9 | V56 M57 | V56-K59 PolarHBondContact O-N 2.6Å; M57-K59 PolarHBondContact O-N 3.3Å |
| 60 | Y | 77.5 | Confident | 70.2 | Confident | 92 Ų | 92 | 109.8 Ų | 109.8 | 36% | 0.361 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -137.5 | 34.4 | -170.8 | -57.5 | -70.5 | 0 | 0 | 0 | 113.4 | V56 Q58 C76 K77 | V56-Y60 HydrophobicContact CG1-CD2 4.09Å; V56-Y60 HydrophobicContact CG1-CE2 3.95Å; Q58-Y60 PolarHBondContact O-N 3.23Å; Q58-Y60 VanDerWaalsContact O-N 3.15Å; Y60-C76 WeakPolarHBondContact O-CA 3.31Å; Y60-K77 VanDerWaalsContact CB-CB 3.44Å; Y60-K77 HydrophobicContact CD1-CD 4.39Å; Y60-K77 HydrophobicContact CD2-CD 3.97Å; Y60-K77 HydrophobicContact CE2-CD 4.48Å; Y60-K77 HydrophobicContact CG-CB 4.16Å; Y60-K77 HydrophobicContact CG-CD 3.92Å; Y60-K77 PolarHBondContact O-N 2.82Å |
| 61 | M | 86.8 | Confident | 72.3 | Confident | 75 Ų | 75 | 111.6 Ų | 111.6 | 37% | 0.369 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.4 | 169.5 | -173.4 | 162.3 | 68.7 | 0 | 0 | 109.9 | F75 C76 I90 | M61-F75 WeakPolarHBondContact CA-O 3.26Å; M61-C76 HydrophobicContact CB-CB 4.22Å; M61-C76 HydrophobicContact CG-CB 3.98Å; M61-C76 HydrophobicContact SD-CB 4.17Å; M61-I90 HydrophobicContact SD-CG2 4.39Å |
| 62 | G | 89.9 | Confident | 74.3 | Confident | 27 Ų | 27 | 109.7 Ų | 109.7 | 28% | 0.278 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -172.3 | -167.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F75 | G62-F75 VanDerWaalsContact C-CE1 3.49Å; G62-F75 PolarHBondContact N-O 3.5Å; G62-F75 WeakPolarHBondContact O-CD1 3.42Å; G62-F75 PolarHBondContact O-N 2.86Å |
| 63 | E | 92.2 | Very high | 76.5 | Confident | 119 Ų | 119 | 100.9 Ų | 100.9 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 141 | 176.6 | -73.2 | -175.1 | 174.6 | 0 | 0 | 109.5 | T72 A73 R74 | E63-T72 HydrophobicContact CB-CG2 3.76Å; E63-T72 HydrophobicContact CG-CG2 4.28Å; E63-A73 CarbonylContact C-O 3.54Å; E63-A73 VanDerWaalsContact CA-O 3.31Å; E63-A73 WeakPolarHBondContact CA-O 3.37Å; E63-R74 HydrophobicContact CG-CG 3.64Å; E63-R74 WeakPolarHBondContact OE1-CG 3.42Å; E63-R74 IonicContact OE1-CZ 3.57Å; E63-R74 IonicContact OE1-NE 2.85Å; E63-R74 PolarHBondContact OE1-NE 2.83Å; E63-R74 IonicContact OE1-NH2 2.75Å |
| 64 | I | 91.1 | Very high | 78.5 | Confident | 77 Ų | 77 | 97.9 Ų | 97.9 | 40% | 0.395 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.3 | 174.6 | -175.7 | 170.9 | 0 | 0 | 0 | 108.7 | F66 T72 A73 F75 | I64-F66 HydrophobicContact CD1-CE1 4.25Å; I64-F66 HydrophobicContact CD1-CZ 4.48Å; I64-F66 HydrophobicContact CG2-CE2 4.01Å; I64-F66 HydrophobicContact CG2-CZ 3.95Å; I64-T72 CarbonylContact O-C 3.56Å; I64-T72 WeakPolarHBondContact O-CA 3.35Å; I64-A73 HydrophobicContact CG2-CB 3.94Å; I64-A73 PolarHBondContact N-O 2.91Å; I64-A73 PolarHBondContact O-N 2.93Å; I64-F75 HydrophobicContact CB-CD1 4.27Å; I64-F75 HydrophobicContact CB-CE1 4.28Å; I64-F75 HydrophobicContact CG2-CD1 4.22Å |
| 65 | E | 92.8 | Very high | 80.5 | Confident | 139 Ų | 139 | 98.3 Ų | 98.3 | 65% | 0.65 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.8 | 170.8 | -173 | -179.1 | 168.3 | 0 | 0 | 108.9 | T67 | E65-T67 PolarHBondContact O-N 3.29Å |
| 66 | F | 90.1 | Very high | 82.6 | Confident | 93 Ų | 93 | 96.1 Ų | 96.1 | 41% | 0.408 | 50% | 0.504 | S | S | . | . | trans | -88.1 | 108.3 | 179.9 | -67.1 | -81.6 | 0 | 0 | 0 | 109.9 | I64 G68 L69 Q71 A73 | I64-F66 HydrophobicContact CD1-CE1 4.25Å; I64-F66 HydrophobicContact CD1-CZ 4.48Å; I64-F66 HydrophobicContact CG2-CE2 4.01Å; I64-F66 HydrophobicContact CG2-CZ 3.95Å; F66-G68 PolarHBondContact O-N 2.87Å; F66-G68 VanDerWaalsContact O-N 3.16Å; F66-L69 HydrophobicContact CB-CB 3.97Å; F66-L69 HydrophobicContact CB-CD1 4.11Å; F66-L69 HydrophobicContact CB-CG 4.43Å; F66-L69 CarbonylContact O-C 3.43Å; F66-L69 PolarHBondContact O-N 3.41Å; F66-Q71 PolarHBondContact N-O 2.99Å; F66-A73 HydrophobicContact CE2-CB 3.78Å; F66-A73 HydrophobicContact CZ-CB 4.49Å | ||
| 67 | T | 87.2 | Confident | 84.4 | Confident | 144 Ų | 144 | 99.1 Ų | 99.1 | 88% | 0.883 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 124.7 | 178.5 | 57.2 | 0 | 0 | 0 | 0 | 111.4 | E65 L69 | E65-T67 PolarHBondContact O-N 3.29Å; T67-L69 VanDerWaalsContact C-N 3.34Å |
| 68 | G | 90.9 | Very high | 86.1 | Confident | 81 Ų | 81 | 100.6 Ų | 100.6 | 84% | 0.835 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -4.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F66 | F66-G68 PolarHBondContact O-N 2.87Å; F66-G68 VanDerWaalsContact O-N 3.16Å |
| 69 | L | 80.1 | Confident | 87.6 | Confident | 97 Ų | 97 | 97 Ų | 97 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -123.3 | 108.3 | 169.2 | -56.7 | 173.6 | 0 | 0 | 0 | 105.2 | F66 T67 Q71 | F66-L69 HydrophobicContact CB-CB 3.97Å; F66-L69 HydrophobicContact CB-CD1 4.11Å; F66-L69 HydrophobicContact CB-CG 4.43Å; F66-L69 CarbonylContact O-C 3.43Å; F66-L69 PolarHBondContact O-N 3.41Å; T67-L69 VanDerWaalsContact C-N 3.34Å; L69-Q71 HydrophobicContact CB-CB 4.49Å; L69-Q71 PolarHBondContact O-N 3.29Å |
| 70 | N | 86.2 | Confident | 88.7 | Confident | 167 Ų | 167 | 95.3 Ų | 95.3 | 89% | 0.893 | 52% | 0.515 | S | S | * | . | trans | -66.2 | 59.6 | 180 | -64.4 | -30.1 | 0 | 0 | 0 | 112.1 | ||||
| 71 | Q | 86.5 | Confident | 89.3 | Confident | 128 Ų | 128 | 98.9 Ų | 98.9 | 60% | 0.598 | 54% | 0.535 | S | S | * | . | trans | -144.3 | 128.8 | -167.9 | -71 | -175.3 | 83.2 | 0 | 0 | 108.1 | F66 L69 | F66-Q71 PolarHBondContact N-O 2.99Å; L69-Q71 HydrophobicContact CB-CB 4.49Å; L69-Q71 PolarHBondContact O-N 3.29Å | ||
| 72 | T | 88.5 | Confident | 89.4 | Confident | 83 Ų | 83 | 96.7 Ų | 96.7 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.3 | 175.8 | -54.2 | 0 | 0 | 0 | 0 | 108.5 | E63 I64 | E63-T72 HydrophobicContact CB-CG2 3.76Å; E63-T72 HydrophobicContact CG-CG2 4.28Å; I64-T72 CarbonylContact O-C 3.56Å; I64-T72 WeakPolarHBondContact O-CA 3.35Å |
| 73 | A | 90.6 | Very high | 89.5 | Confident | 37 Ų | 37 | 99 Ų | 99 | 31% | 0.306 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E63 I64 F66 | E63-A73 CarbonylContact C-O 3.54Å; E63-A73 VanDerWaalsContact CA-O 3.31Å; E63-A73 WeakPolarHBondContact CA-O 3.37Å; I64-A73 HydrophobicContact CG2-CB 3.94Å; I64-A73 PolarHBondContact N-O 2.91Å; I64-A73 PolarHBondContact O-N 2.93Å; F66-A73 HydrophobicContact CE2-CB 3.78Å; F66-A73 HydrophobicContact CZ-CB 4.49Å |
| 74 | R | 91.9 | Very high | 89.5 | Confident | 125 Ų | 125 | 98.3 Ų | 98.3 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 138.2 | 171.5 | -71.9 | 170.2 | 177.8 | 173.7 | 1.5 | 109.9 | E63 W95 | E63-R74 HydrophobicContact CG-CG 3.64Å; E63-R74 WeakPolarHBondContact OE1-CG 3.42Å; E63-R74 IonicContact OE1-CZ 3.57Å; E63-R74 IonicContact OE1-NE 2.85Å; E63-R74 PolarHBondContact OE1-NE 2.83Å; E63-R74 IonicContact OE1-NH2 2.75Å; R74-W95 HydrophobicContact CB-CD2 4.16Å; R74-W95 HydrophobicContact CB-CZ2 3.96Å; R74-W95 PolarHBondContact NH1-O 3.2Å; R74-W95 VanDerWaalsContact NH1-O 3.1Å |
| 75 | F | 92.7 | Very high | 89.6 | Confident | 99 Ų | 99 | 97.2 Ų | 97.2 | 43% | 0.434 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 152.8 | 176.5 | 71 | -89.5 | 0 | 0 | 0 | 111.4 | M61 G62 I64 | M61-F75 WeakPolarHBondContact CA-O 3.26Å; G62-F75 VanDerWaalsContact C-CE1 3.49Å; G62-F75 PolarHBondContact N-O 3.5Å; G62-F75 WeakPolarHBondContact O-CD1 3.42Å; G62-F75 PolarHBondContact O-N 2.86Å; I64-F75 HydrophobicContact CB-CD1 4.27Å; I64-F75 HydrophobicContact CB-CE1 4.28Å; I64-F75 HydrophobicContact CG2-CD1 4.22Å |
| 76 | C | 91.4 | Very high | 89.5 | Confident | 29 Ų | 29 | 93.7 Ų | 93.7 | 20% | 0.196 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 129.5 | 170.8 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | Y60 M61 W95 | Y60-C76 WeakPolarHBondContact O-CA 3.31Å; M61-C76 HydrophobicContact CB-CB 4.22Å; M61-C76 HydrophobicContact CG-CB 3.98Å; M61-C76 HydrophobicContact SD-CB 4.17Å; C76-W95 HydrophobicContact CB-CZ2 4.17Å |
| 77 | K | 90.6 | Very high | 89.6 | Confident | 118 Ų | 118 | 92.6 Ų | 92.6 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | trans | -81 | 125 | 172.1 | -173.9 | -177.2 | 177.9 | 177.8 | 0 | 109.5 | Y60 | Y60-K77 VanDerWaalsContact CB-CB 3.44Å; Y60-K77 HydrophobicContact CD1-CD 4.39Å; Y60-K77 HydrophobicContact CD2-CD 3.97Å; Y60-K77 HydrophobicContact CE2-CD 4.48Å; Y60-K77 HydrophobicContact CG-CB 4.16Å; Y60-K77 HydrophobicContact CG-CD 3.92Å; Y60-K77 PolarHBondContact O-N 2.82Å | ||
| 78 | L | 88.6 | Confident | 89.8 | Confident | 62 Ų | 62 | 92.8 Ų | 92.8 | 33% | 0.325 | 50% | 0.503 | S | S | . | . | trans | -109 | 151.5 | 175.4 | -50.4 | 179.8 | 0 | 0 | 0 | 111.6 | M57 T82 L87 I90 | M57-L78 HydrophobicContact CE-CB 3.97Å; M57-L78 HydrophobicContact CE-CD2 3.33Å; M57-L78 HydrophobicContact CE-CG 4.23Å; M57-L78 HydrophobicContact SD-CD2 3.39Å; M57-L78 WeakPolarHBondContact SD-CD2 3.25Å; L78-T82 HydrophobicContact CD2-CG2 4.46Å; L78-L87 HydrophobicContact CD1-CD1 3.98Å; L78-I90 HydrophobicContact CD2-CD1 3.89Å | ||
| 79 | N | 88 | Confident | 89.8 | Confident | 79 Ų | 79 | 92.1 Ų | 92.1 | 42% | 0.422 | 48% | 0.48 | S | S | . | . | trans | -84.7 | 154.4 | 167.8 | -65.2 | -15.4 | 0 | 0 | 0 | 109.3 | E81 T82 | N79-E81 PolarHBondContact O-N 3.48Å; N79-T82 PolarHBondContact N-OG1 3.18Å; N79-T82 VanDerWaalsContact O-CB 3.23Å; N79-T82 WeakPolarHBondContact O-CB 3.31Å; N79-T82 PolarHBondContact O-N 2.96Å; N79-T82 PolarHBondContact O-OG1 2.94Å | ||
| 80 | S | 89.6 | Confident | 90.4 | Very high | 130 Ų | 130 | 88.1 Ų | 88.1 | 91% | 0.909 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26 | 176.8 | 50.2 | 0 | 0 | 0 | 0 | 113.9 | T82 | S80-T82 VanDerWaalsContact C-N 3.31Š|
| 81 | E | 90.4 | Very high | 90.7 | Very high | 168 Ų | 168 | 82.4 Ų | 82.4 | 79% | 0.785 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 0.7 | 177.5 | -62.6 | 172.6 | -172.9 | 0 | 0 | 113.2 | N79 P83 | N79-E81 PolarHBondContact O-N 3.48Å; E81-P83 WeakPolarHBondContact O-CD 3.31Å |
| 82 | T | 88.8 | Confident | 91 | Very high | 28 Ų | 28 | 83.1 Ų | 83.1 | 17% | 0.172 | 43% | 0.43 | C | S | . | . | trans | -69.7 | 121.3 | -177.9 | -49.9 | 0 | 0 | 0 | 0 | 109.2 | M57 L78 N79 S80 I86 | M57-T82 HydrophobicContact CE-CG2 3.94Å; M57-T82 WeakPolarHBondContact CE-OG1 3.34Å; M57-T82 HydrophobicContact SD-CG2 3.87Å; L78-T82 HydrophobicContact CD2-CG2 4.46Å; N79-T82 PolarHBondContact N-OG1 3.18Å; N79-T82 VanDerWaalsContact O-CB 3.23Å; N79-T82 WeakPolarHBondContact O-CB 3.31Å; N79-T82 PolarHBondContact O-N 2.96Å; N79-T82 PolarHBondContact O-OG1 2.94Å; S80-T82 VanDerWaalsContact C-N 3.31Å; T82-I86 HydrophobicContact CG2-CB 3.91Å; T82-I86 HydrophobicContact CG2-CG1 4.44Å; T82-I86 HydrophobicContact CG2-CG2 3.98Å | ||
| 83 | P | 92 | Very high | 91.1 | Very high | 75 Ų | 75 | 87.6 Ų | 87.6 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | trans | -71.2 | 147.3 | -179.5 | 27.8 | -32.5 | 0 | 0 | 0 | 111.3 | E81 S85 I86 | E81-P83 WeakPolarHBondContact O-CD 3.31Å; P83-S85 PolarHBondContact O-N 3.46Å; P83-I86 HydrophobicContact CG-CG1 3.92Å; P83-I86 WeakPolarHBondContact O-CB 3.37Å; P83-I86 PolarHBondContact O-N 3.15Å | ||
| 84 | D | 91.6 | Very high | 91.2 | Very high | 105 Ų | 105 | 92.3 Ų | 92.3 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -58.3 | -23.4 | -178.3 | -64.7 | -6.5 | 0 | 0 | 0 | 114.1 | I86 L87 R88 | D84-I86 PolarHBondContact O-N 2.92Å; D84-L87 PolarHBondContact O-N 3.38Å; D84-R88 VanDerWaalsContact CB-NH1 3.31Å; D84-R88 WeakPolarHBondContact O-CG 3.49Å; D84-R88 PolarHBondContact O-N 3.12Å |
| 85 | S | 92.8 | Very high | 91.2 | Very high | 55 Ų | 55 | 89.1 Ų | 89.1 | 39% | 0.385 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.5 | -38.6 | 174.5 | 53 | 0 | 0 | 0 | 0 | 111.8 | P83 R88 D89 | P83-S85 PolarHBondContact O-N 3.46Å; S85-R88 PolarHBondContact O-N 3.36Å; S85-D89 WeakPolarHBondContact O-CB 3.39Å; S85-D89 PolarHBondContact O-N 2.98Å |
| 86 | I | 91.5 | Very high | 91.2 | Very high | 65 Ų | 65 | 87.3 Ų | 87.3 | 33% | 0.333 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.6 | -41.3 | 177 | -59.7 | -63.9 | 0 | 0 | 0 | 110.4 | M57 T82 P83 D84 D89 I90 | M57-I86 HydrophobicContact SD-CG2 3.84Å; T82-I86 HydrophobicContact CG2-CB 3.91Å; T82-I86 HydrophobicContact CG2-CG1 4.44Å; T82-I86 HydrophobicContact CG2-CG2 3.98Å; P83-I86 HydrophobicContact CG-CG1 3.92Å; P83-I86 WeakPolarHBondContact O-CB 3.37Å; P83-I86 PolarHBondContact O-N 3.15Å; D84-I86 PolarHBondContact O-N 2.92Å; I86-D89 WeakPolarHBondContact O-CB 3.42Å; I86-D89 PolarHBondContact O-N 3.45Å; I86-I90 HydrophobicContact CG2-CD1 3.98Å; I86-I90 VanDerWaalsContact O-CG1 3.29Å; I86-I90 WeakPolarHBondContact O-CG1 3.23Å; I86-I90 PolarHBondContact O-N 2.98Å |
| 87 | L | 91.3 | Very high | 91.2 | Very high | 69 Ų | 69 | 89.8 Ų | 89.8 | 36% | 0.361 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 174.8 | 177 | 61 | 0 | 0 | 0 | 110.9 | L78 D84 D89 I90 L91 | L78-L87 HydrophobicContact CD1-CD1 3.98Å; D84-L87 PolarHBondContact O-N 3.38Å; L87-D89 VanDerWaalsContact C-N 3.3Å; L87-D89 PolarHBondContact O-N 2.98Å; L87-I90 PolarHBondContact O-N 2.85Å; L87-L91 HydrophobicContact CD1-CD1 4.21Å; L87-L91 HydrophobicContact CD1-CG 4.16Å; L87-L91 HydrophobicContact CG-CD1 4.16Å; L87-L91 HydrophobicContact CG-CG 4.49Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.45Å; L87-L91 PolarHBondContact O-N 2.98Å |
| 88 | R | 90.8 | Very high | 91.2 | Very high | 149 Ų | 149 | 90.8 Ų | 90.8 | 56% | 0.562 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58.2 | -42.4 | 176 | -73.5 | -172.5 | -73.1 | -91.2 | 4.4 | 112 | D84 S85 L91 K92 | D84-R88 VanDerWaalsContact CB-NH1 3.31Å; D84-R88 WeakPolarHBondContact O-CG 3.49Å; D84-R88 PolarHBondContact O-N 3.12Å; S85-R88 PolarHBondContact O-N 3.36Å; R88-L91 PolarHBondContact O-N 2.7Å; R88-K92 VanDerWaalsContact O-CB 3.25Å; R88-K92 WeakPolarHBondContact O-CB 3.44Å; R88-K92 PolarHBondContact O-N 2.89Å |
| 89 | D | 91.9 | Very high | 91.2 | Very high | 67 Ų | 67 | 91.9 Ų | 91.9 | 36% | 0.358 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 176.2 | -92.4 | 14.7 | 0 | 0 | 0 | 112.7 | S85 I86 L87 R93 K94 | S85-D89 WeakPolarHBondContact O-CB 3.39Å; S85-D89 PolarHBondContact O-N 2.98Å; I86-D89 WeakPolarHBondContact O-CB 3.42Å; I86-D89 PolarHBondContact O-N 3.45Å; L87-D89 VanDerWaalsContact C-N 3.3Å; L87-D89 PolarHBondContact O-N 2.98Å; D89-R93 WeakPolarHBondContact O-CA 3.34Å; D89-R93 VanDerWaalsContact O-CB 3.23Å; D89-R93 WeakPolarHBondContact O-CB 3.42Å; D89-R93 PolarHBondContact O-N 3.05Å; D89-R93 IonicContact OD2-CZ 3.67Å; D89-R93 IonicContact OD2-NH2 3.65Å; D89-R93 PolarHBondContact OD2-NH2 2.8Å; D89-K94 PolarHBondContact O-N 3.42Å |
| 90 | I | 92.5 | Very high | 91.3 | Very high | 13 Ų | 13 | 90.5 Ų | 90.5 | 7% | 0.067 | 47% | 0.469 | C | S | . | . | I | π-helix | trans | -62.3 | -53.1 | 175.8 | -68.7 | 163.1 | 0 | 0 | 0 | 109.6 | M57 M61 L78 I86 L87 K92 K94 W95 | M57-I90 HydrophobicContact SD-CD1 4.45Å; M61-I90 HydrophobicContact SD-CG2 4.39Å; L78-I90 HydrophobicContact CD2-CD1 3.89Å; I86-I90 HydrophobicContact CG2-CD1 3.98Å; I86-I90 VanDerWaalsContact O-CG1 3.29Å; I86-I90 WeakPolarHBondContact O-CG1 3.23Å; I86-I90 PolarHBondContact O-N 2.98Å; L87-I90 PolarHBondContact O-N 2.85Å; I90-K92 PolarHBondContact O-N 3.04Å; I90-K94 WeakPolarHBondContact O-CA 3.48Å; I90-K94 WeakPolarHBondContact O-CB 3.38Å; I90-K94 PolarHBondContact O-N 2.9Å; I90-K94 VanDerWaalsContact O-N 3.11Å; I90-W95 HydrophobicContact CG2-CD2 4.07Å; I90-W95 HydrophobicContact CG2-CE3 4.5Å; I90-W95 HydrophobicContact CG2-CH2 4.38Å; I90-W95 HydrophobicContact CG2-CZ2 3.95Å; I90-W95 PolarHBondContact O-N 3.22Å |
| 91 | L | 92.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 89.4 Ų | 89.4 | 24% | 0.241 | 46% | 0.458 | C | S | . | . | I | π-helix | trans | -58.9 | -46.5 | -178.3 | -64.3 | 176.9 | 0 | 0 | 0 | 111.6 | L87 R88 W95 G96 L97 | L87-L91 HydrophobicContact CD1-CD1 4.21Å; L87-L91 HydrophobicContact CD1-CG 4.16Å; L87-L91 HydrophobicContact CG-CD1 4.16Å; L87-L91 HydrophobicContact CG-CG 4.49Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.45Å; L87-L91 PolarHBondContact O-N 2.98Å; R88-L91 PolarHBondContact O-N 2.7Å; L91-W95 HydrophobicContact CD2-CE3 3.51Å; L91-W95 HydrophobicContact CD2-CZ3 3.5Å; L91-G96 PolarHBondContact O-N 2.9Å; L91-L97 HydrophobicContact CB-CD1 4.27Å; L91-L97 HydrophobicContact CD2-CD1 3.91Å; L91-L97 VanDerWaalsContact O-CB 3.31Å; L91-L97 WeakPolarHBondContact O-CB 3.39Å; L91-L97 WeakPolarHBondContact O-CG 3.46Å; L91-L97 PolarHBondContact O-N 3.46Å |
| 92 | K | 92.5 | Very high | 91.3 | Very high | 143 Ų | 143 | 85.5 Ų | 85.5 | 62% | 0.622 | 44% | 0.441 | S | S | * | . | I | π-helix | trans | -80.5 | -54.3 | -175.2 | -173.6 | 179.6 | 179.6 | -177.9 | 0 | 113.1 | R88 I90 G96 | R88-K92 VanDerWaalsContact O-CB 3.25Å; R88-K92 WeakPolarHBondContact O-CB 3.44Å; R88-K92 PolarHBondContact O-N 2.89Å; I90-K92 PolarHBondContact O-N 3.04Å; K92-G96 VanDerWaalsContact O-CA 3.25Å; K92-G96 WeakPolarHBondContact O-CA 3.25Å; K92-G96 PolarHBondContact O-N 3.02Å |
| 93 | R | 92.3 | Very high | 91.3 | Very high | 178 Ų | 178 | 89.1 Ų | 89.1 | 67% | 0.672 | 46% | 0.459 | S | S | * | . | I | π-helix | trans | -90.1 | -36.7 | -168.2 | -178.9 | 169 | 53.8 | 161.3 | -5.8 | 112.8 | D89 | D89-R93 WeakPolarHBondContact O-CA 3.34Å; D89-R93 VanDerWaalsContact O-CB 3.23Å; D89-R93 WeakPolarHBondContact O-CB 3.42Å; D89-R93 PolarHBondContact O-N 3.05Å; D89-R93 IonicContact OD2-CZ 3.67Å; D89-R93 IonicContact OD2-NH2 3.65Å; D89-R93 PolarHBondContact OD2-NH2 2.8Å |
| 94 | K | 90.8 | Very high | 91.3 | Very high | 136 Ų | 136 | 87.3 Ų | 87.3 | 59% | 0.591 | 44% | 0.444 | S | S | * | . | I | π-helix | trans | -87.5 | -42.8 | -180 | -64.3 | -65.2 | -173.3 | 178.7 | 0 | 112.2 | D89 I90 | D89-K94 PolarHBondContact O-N 3.42Å; I90-K94 WeakPolarHBondContact O-CA 3.48Å; I90-K94 WeakPolarHBondContact O-CB 3.38Å; I90-K94 PolarHBondContact O-N 2.9Å; I90-K94 VanDerWaalsContact O-N 3.11Å |
| 95 | W | 93 | Very high | 91.3 | Very high | 57 Ų | 57 | 85.6 Ų | 85.6 | 22% | 0.216 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -95.1 | -10.7 | -178.4 | -63.3 | -10.5 | 0 | 0 | 0 | 114 | R74 C76 I90 L91 L97 | R74-W95 HydrophobicContact CB-CD2 4.16Å; R74-W95 HydrophobicContact CB-CZ2 3.96Å; R74-W95 PolarHBondContact NH1-O 3.2Å; R74-W95 VanDerWaalsContact NH1-O 3.1Å; C76-W95 HydrophobicContact CB-CZ2 4.17Å; I90-W95 HydrophobicContact CG2-CD2 4.07Å; I90-W95 HydrophobicContact CG2-CE3 4.5Å; I90-W95 HydrophobicContact CG2-CH2 4.38Å; I90-W95 HydrophobicContact CG2-CZ2 3.95Å; I90-W95 PolarHBondContact O-N 3.22Å; L91-W95 HydrophobicContact CD2-CE3 3.51Å; L91-W95 HydrophobicContact CD2-CZ3 3.5Å; W95-L97 VanDerWaalsContact C-N 3.25Å; W95-L97 HydrophobicContact CB-CG 4.08Å; W95-L97 HydrophobicContact CE3-CD1 4.27Å; W95-L97 PolarHBondContact O-N 3.22Å |
| 96 | G | 92.2 | Very high | 91.1 | Very high | 61 Ų | 61 | 84.5 Ų | 84.5 | 63% | 0.629 | 43% | 0.429 | S | S | * | . | trans | 70.2 | 21.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | L91 K92 K98 | L91-G96 PolarHBondContact O-N 2.9Å; K92-G96 VanDerWaalsContact O-CA 3.25Å; K92-G96 WeakPolarHBondContact O-CA 3.25Å; K92-G96 PolarHBondContact O-N 3.02Å; G96-K98 PolarHBondContact O-N 3.04Å | ||
| 97 | L | 91.3 | Very high | 91 | Very high | 82 Ų | 82 | 88 Ų | 88 | 43% | 0.429 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 132.6 | -179.1 | -57.7 | -179.6 | 0 | 0 | 0 | 110 | L91 W95 | L91-L97 HydrophobicContact CB-CD1 4.27Å; L91-L97 HydrophobicContact CD2-CD1 3.91Å; L91-L97 VanDerWaalsContact O-CB 3.31Å; L91-L97 WeakPolarHBondContact O-CB 3.39Å; L91-L97 WeakPolarHBondContact O-CG 3.46Å; L91-L97 PolarHBondContact O-N 3.46Å; W95-L97 VanDerWaalsContact C-N 3.25Å; W95-L97 HydrophobicContact CB-CG 4.08Å; W95-L97 HydrophobicContact CE3-CD1 4.27Å; W95-L97 PolarHBondContact O-N 3.22Å |
| 98 | K | 90.2 | Very high | 90.7 | Very high | 139 Ų | 139 | 87.2 Ų | 87.2 | 60% | 0.604 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 140.3 | 170.6 | -176.3 | 171.5 | 165.8 | -174.2 | 0 | 109.2 | G96 S134 | G96-K98 PolarHBondContact O-N 3.04Å; K98-S134 VanDerWaalsContact CD-OG 3.29Å; K98-S134 WeakPolarHBondContact CD-OG 3.44Å |
| 99 | P | 88.9 | Confident | 90.3 | Very high | 84 Ų | 84 | 86.1 Ų | 86.1 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 126 | 174.4 | -26.4 | 35.1 | 0 | 0 | 0 | 110.8 | ||
| 100 | P | 89.6 | Confident | 89.6 | Confident | 50 Ų | 50 | 89 Ų | 89 | 33% | 0.325 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -71 | 143.6 | -178.6 | 28.3 | -34 | 0 | 0 | 0 | 111.5 | I103 S134 L136 | P100-I103 HydrophobicContact CB-CG1 4.47Å; P100-I103 HydrophobicContact CG-CD1 4.44Å; P100-I103 HydrophobicContact CG-CG1 4.09Å; P100-S134 WeakPolarHBondContact CA-O 3.31Å; P100-S134 WeakPolarHBondContact CB-O 3.29Å; P100-L136 HydrophobicContact CB-CB 3.68Å; P100-L136 HydrophobicContact CG-CB 3.96Å; P100-L136 HydrophobicContact CG-CD2 4.17Å |
| 101 | T | 90.2 | Very high | 88.8 | Confident | 108 Ų | 108 | 93 Ų | 93 | 66% | 0.663 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -88.3 | -21.3 | 174.5 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | S134 | T101-S134 PolarHBondContact N-O 3.04Š|
| 102 | L | 89.9 | Confident | 87.8 | Confident | 85 Ų | 85 | 99 Ų | 99 | 45% | 0.445 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 131.3 | 178.6 | 179.7 | 63.8 | 0 | 0 | 0 | 108.9 | I104 L136 | L102-I104 HydrophobicContact CD2-CD1 4.12Å; L102-I104 HydrophobicContact CD2-CG1 4.1Å; L102-I104 HydrophobicContact CG-CG1 4.06Å; L102-L136 PolarHBondContact O-N 2.84Å |
| 103 | I | 90.5 | Very high | 86.9 | Confident | 105 Ų | 105 | 101.8 Ų | 101.8 | 54% | 0.538 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.6 | 173.4 | -59.5 | 174.1 | 0 | 0 | 0 | 107.2 | P100 V138 | P100-I103 HydrophobicContact CB-CG1 4.47Å; P100-I103 HydrophobicContact CG-CD1 4.44Å; P100-I103 HydrophobicContact CG-CG1 4.09Å; I103-V138 HydrophobicContact CG2-CG2 4.26Å |
| 104 | I | 90.2 | Very high | 86.4 | Confident | 36 Ų | 36 | 99.9 Ų | 99.9 | 19% | 0.185 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 115.1 | 175.4 | -53.6 | 173.4 | 0 | 0 | 0 | 107.6 | L102 V106 L125 A128 L136 V138 | L102-I104 HydrophobicContact CD2-CD1 4.12Å; L102-I104 HydrophobicContact CD2-CG1 4.1Å; L102-I104 HydrophobicContact CG-CG1 4.06Å; I104-V106 HydrophobicContact CG2-CG2 4.29Å; I104-L125 HydrophobicContact CB-CD1 4.4Å; I104-L125 HydrophobicContact CD1-CD1 3.94Å; I104-L125 HydrophobicContact CG2-CD1 3.7Å; I104-A128 HydrophobicContact CD1-CB 3.91Å; I104-L136 PolarHBondContact N-O 2.83Å; I104-V138 PolarHBondContact O-N 3.38Å |
| 105 | T | 91.9 | Very high | 86.1 | Confident | 69 Ų | 69 | 104.3 Ų | 104.3 | 42% | 0.423 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.9 | 175.7 | -45.8 | 0 | 0 | 0 | 0 | 109.8 | F107 V138 | T105-F107 HydrophobicContact CG2-CD2 3.97Å; T105-F107 HydrophobicContact CG2-CE1 4.17Å; T105-F107 HydrophobicContact CG2-CE2 3.22Å; T105-F107 HydrophobicContact CG2-CZ 3.34Å; T105-V138 WeakPolarHBondContact CA-O 3.42Å; T105-V138 HydrophobicContact CG2-CB 4.43Å; T105-V138 HydrophobicContact CG2-CG1 4.47Å |
| 106 | V | 88.9 | Confident | 86 | Confident | 32 Ų | 32 | 109.2 Ų | 109.2 | 19% | 0.194 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 123 | 178.6 | -176.6 | 0 | 0 | 0 | 0 | 109 | I104 F121 L125 V138 Q140 | I104-V106 HydrophobicContact CG2-CG2 4.29Å; V106-F121 HydrophobicContact CG1-CE1 4.35Å; V106-F121 HydrophobicContact CG1-CZ 3.98Å; V106-F121 HydrophobicContact CG2-CZ 4.36Å; V106-L125 HydrophobicContact CG2-CD2 4.11Å; V106-V138 PolarHBondContact N-O 2.99Å; V106-Q140 PolarHBondContact O-N 2.75Å |
| 107 | F | 89.3 | Confident | 85.8 | Confident | 139 Ų | 139 | 110 Ų | 110 | 61% | 0.61 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.2 | 173.4 | -59.8 | -86.4 | 0 | 0 | 0 | 109.4 | T105 Q140 | T105-F107 HydrophobicContact CG2-CD2 3.97Å; T105-F107 HydrophobicContact CG2-CE1 4.17Å; T105-F107 HydrophobicContact CG2-CE2 3.22Å; T105-F107 HydrophobicContact CG2-CZ 3.34Å; F107-Q140 HydrophobicContact CD1-CB 3.97Å; F107-Q140 HydrophobicContact CD1-CG 4.44Å; F107-Q140 HydrophobicContact CE1-CB 3.99Å; F107-Q140 HydrophobicContact CE1-CG 4.37Å |
| 108 | G | 85.9 | Confident | 85.7 | Confident | 53 Ų | 53 | 111.4 Ų | 111.4 | 55% | 0.546 | 56% | 0.556 | S | S | . | * | trans | 146.1 | -179.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 109 | T | 81.2 | Confident | 85.7 | Confident | 125 Ų | 125 | 109.5 Ų | 109.5 | 77% | 0.767 | 55% | 0.551 | S | S | * | * | trans | -105 | 178.3 | 177.9 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 110 | D | 78.9 | Confident | 85.8 | Confident | 127 Ų | 127 | 110.2 Ų | 110.2 | 68% | 0.679 | 55% | 0.549 | S | S | * | . | trans | -58.8 | 137.6 | 177.4 | -76.6 | -54.9 | 0 | 0 | 0 | 114.1 | E112 | D110-E112 HydrophobicContact CB-CG 4.41Å; D110-E112 PolarHBondContact O-N 3.33Å | ||
| 111 | F | 73.8 | Confident | 85.9 | Confident | 98 Ų | 98 | 112.1 Ų | 112.1 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | trans | -91.6 | 72.7 | 171.6 | -61.3 | -81.3 | 0 | 0 | 0 | 110.8 | L117 | F111-L117 HydrophobicContact CD1-CD2 4.43Š| ||
| 112 | E | 71.9 | Confident | 85.9 | Confident | 171 Ų | 171 | 113.9 Ų | 113.9 | 80% | 0.799 | 55% | 0.551 | S | S | * | * | trans | -67.9 | -39.6 | -177.6 | -75.7 | -177.1 | 160.6 | 0 | 0 | 113.1 | D110 K114 | D110-E112 HydrophobicContact CB-CG 4.41Å; D110-E112 PolarHBondContact O-N 3.33Å; E112-K114 PolarHBondContact O-N 2.94Å | ||
| 113 | K | 73.1 | Confident | 86 | Confident | 203 Ų | 203 | 116.3 Ų | 116.3 | 88% | 0.883 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -85.3 | -11.1 | -166.7 | -66 | 172.8 | -176.8 | 157.7 | 0 | 115.1 | ||
| 114 | K | 82 | Confident | 86.1 | Confident | 138 Ų | 138 | 113.4 Ų | 113.4 | 60% | 0.6 | 55% | 0.554 | S | S | * | * | trans | -126.5 | 73.1 | -171.2 | -63.2 | -174.3 | -179.7 | -179.4 | 0 | 112.3 | E112 K116 L117 K118 | E112-K114 PolarHBondContact O-N 2.94Å; K114-K116 VanDerWaalsContact C-N 3.28Å; K114-K116 PolarHBondContact O-N 2.9Å; K114-L117 HydrophobicContact CB-CB 3.75Å; K114-L117 HydrophobicContact CB-CD2 4.38Å; K114-L117 HydrophobicContact CD-CD2 3.93Å; K114-L117 PolarHBondContact O-N 3.1Å; K114-K118 PolarHBondContact O-N 3Å | ||
| 115 | R | 85.8 | Confident | 86.2 | Confident | 228 Ų | 228 | 113.2 Ų | 113.2 | 86% | 0.86 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -51.2 | -42.3 | 179.8 | -175.5 | 175.6 | 175.9 | 149.4 | -1.7 | 113.4 | K118 M119 | R115-K118 PolarHBondContact O-N 2.92Å; R115-M119 PolarHBondContact O-N 2.8Å |
| 116 | K | 89.6 | Confident | 86.1 | Confident | 161 Ų | 161 | 117.9 Ų | 117.9 | 70% | 0.7 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.5 | -43.4 | 178.3 | -169.8 | 174.4 | -178.4 | 178.7 | 0 | 111.8 | K114 M119 I120 | K114-K116 VanDerWaalsContact C-N 3.28Å; K114-K116 PolarHBondContact O-N 2.9Å; K116-M119 PolarHBondContact O-N 3Å; K116-I120 HydrophobicContact CG-CD1 3.93Å; K116-I120 VanDerWaalsContact O-CG1 3.31Å; K116-I120 WeakPolarHBondContact O-CG1 3.29Å; K116-I120 PolarHBondContact O-N 3.4Å |
| 117 | L | 89 | Confident | 86.2 | Confident | 77 Ų | 77 | 123.8 Ų | 123.8 | 40% | 0.403 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65 | -45.8 | 177.5 | -175.3 | 61.9 | 0 | 0 | 0 | 111.2 | F111 K114 M119 I120 F121 | F111-L117 HydrophobicContact CD1-CD2 4.43Å; K114-L117 HydrophobicContact CB-CB 3.75Å; K114-L117 HydrophobicContact CB-CD2 4.38Å; K114-L117 HydrophobicContact CD-CD2 3.93Å; K114-L117 PolarHBondContact O-N 3.1Å; L117-M119 VanDerWaalsContact C-N 3.26Å; L117-M119 PolarHBondContact O-N 3.17Å; L117-I120 PolarHBondContact O-N 2.73Å; L117-F121 VanDerWaalsContact O-CB 3.26Å; L117-F121 WeakPolarHBondContact O-CB 3.31Å; L117-F121 PolarHBondContact O-N 3.1Å |
| 118 | K | 88.7 | Confident | 86.2 | Confident | 112 Ų | 112 | 118.7 Ų | 118.7 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -55.7 | -42.2 | 175.4 | -174.4 | 171.3 | -176.1 | 166.6 | 0 | 111.6 | K114 R115 K122 | K114-K118 PolarHBondContact O-N 3Å; R115-K118 PolarHBondContact O-N 2.92Å; K118-K122 VanDerWaalsContact O-CB 3.25Å; K118-K122 WeakPolarHBondContact O-CB 3.23Å; K118-K122 PolarHBondContact O-N 3.18Å |
| 119 | M | 90.8 | Very high | 86.2 | Confident | 98 Ų | 98 | 117.3 Ų | 117.3 | 48% | 0.483 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.4 | -45.6 | 178.3 | -175.1 | 170.1 | 66 | 0 | 0 | 112.6 | R115 K116 L117 K123 | R115-M119 PolarHBondContact O-N 2.8Å; K116-M119 PolarHBondContact O-N 3Å; L117-M119 VanDerWaalsContact C-N 3.26Å; L117-M119 PolarHBondContact O-N 3.17Å; M119-K123 HydrophobicContact CG-CD 4.36Å; M119-K123 WeakPolarHBondContact O-CB 3.41Å; M119-K123 WeakPolarHBondContact O-CG 3.47Å; M119-K123 PolarHBondContact O-N 2.76Å |
| 120 | I | 91.8 | Very high | 86.4 | Confident | 99 Ų | 99 | 118 Ų | 118 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 179 | -67.7 | 167.1 | 0 | 0 | 0 | 110.2 | K116 L117 K122 K123 G124 | K116-I120 HydrophobicContact CG-CD1 3.93Å; K116-I120 VanDerWaalsContact O-CG1 3.31Å; K116-I120 WeakPolarHBondContact O-CG1 3.29Å; K116-I120 PolarHBondContact O-N 3.4Å; L117-I120 PolarHBondContact O-N 2.73Å; I120-K122 PolarHBondContact O-N 3.47Å; I120-K123 PolarHBondContact O-N 2.98Å; I120-G124 PolarHBondContact O-N 3.04Å |
| 121 | F | 90.3 | Very high | 86.5 | Confident | 91 Ų | 91 | 116.5 Ų | 116.5 | 40% | 0.399 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 177.7 | -178.4 | -102.6 | 0 | 0 | 0 | 111.5 | V106 L117 K123 G124 L125 | V106-F121 HydrophobicContact CG1-CE1 4.35Å; V106-F121 HydrophobicContact CG1-CZ 3.98Å; V106-F121 HydrophobicContact CG2-CZ 4.36Å; L117-F121 VanDerWaalsContact O-CB 3.26Å; L117-F121 WeakPolarHBondContact O-CB 3.31Å; L117-F121 PolarHBondContact O-N 3.1Å; F121-K123 PolarHBondContact O-N 3.19Å; F121-G124 PolarHBondContact O-N 3.22Å; F121-L125 HydrophobicContact CE1-CD2 4.23Å; F121-L125 HydrophobicContact CZ-CD2 4.45Å; F121-L125 WeakPolarHBondContact O-CB 3.25Å; F121-L125 PolarHBondContact O-N 2.89Å |
| 122 | K | 90.1 | Very high | 86.2 | Confident | 145 Ų | 145 | 112.8 Ų | 112.8 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.9 | -46.5 | 176.8 | -172.2 | -179.2 | 73.7 | 165.4 | 0 | 112 | K118 I120 L125 W126 | K118-K122 VanDerWaalsContact O-CB 3.25Å; K118-K122 WeakPolarHBondContact O-CB 3.23Å; K118-K122 PolarHBondContact O-N 3.18Å; I120-K122 PolarHBondContact O-N 3.47Å; K122-L125 PolarHBondContact O-N 3.39Å; K122-W126 VanDerWaalsContact O-CB 3.31Å; K122-W126 WeakPolarHBondContact O-CB 3.35Å; K122-W126 PolarHBondContact O-N 2.9Å |
| 123 | K | 92.6 | Very high | 85.7 | Confident | 135 Ų | 135 | 109.6 Ų | 109.6 | 59% | 0.587 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.1 | -43 | 179.3 | -77.3 | -174.6 | 174.5 | -170 | 0 | 111.9 | M119 I120 F121 K127 | M119-K123 HydrophobicContact CG-CD 4.36Å; M119-K123 WeakPolarHBondContact O-CB 3.41Å; M119-K123 WeakPolarHBondContact O-CG 3.47Å; M119-K123 PolarHBondContact O-N 2.76Å; I120-K123 PolarHBondContact O-N 2.98Å; F121-K123 PolarHBondContact O-N 3.19Å; K123-K127 WeakPolarHBondContact O-CB 3.11Å; K123-K127 PolarHBondContact O-N 3.44Å |
| 124 | G | 92.1 | Very high | 85.7 | Confident | 44 Ų | 44 | 100.9 Ų | 100.9 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | I120 F121 K127 A128 | I120-G124 PolarHBondContact O-N 3.04Å; F121-G124 PolarHBondContact O-N 3.22Å; G124-K127 PolarHBondContact O-N 3.11Å; G124-A128 WeakPolarHBondContact O-CB 3.06Å; G124-A128 PolarHBondContact O-N 3.18Å |
| 125 | L | 92.1 | Very high | 85.3 | Confident | 32 Ų | 32 | 95.5 Ų | 95.5 | 17% | 0.168 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -66 | -41.7 | 179.7 | -174.6 | 60.9 | 0 | 0 | 0 | 112.3 | I104 V106 F121 K122 A128 A129 Q137 | I104-L125 HydrophobicContact CB-CD1 4.4Å; I104-L125 HydrophobicContact CD1-CD1 3.94Å; I104-L125 HydrophobicContact CG2-CD1 3.7Å; V106-L125 HydrophobicContact CG2-CD2 4.11Å; F121-L125 HydrophobicContact CE1-CD2 4.23Å; F121-L125 HydrophobicContact CZ-CD2 4.45Å; F121-L125 WeakPolarHBondContact O-CB 3.25Å; F121-L125 PolarHBondContact O-N 2.89Å; K122-L125 PolarHBondContact O-N 3.39Å; L125-A128 PolarHBondContact O-N 2.81Å; L125-A129 PolarHBondContact O-N 3.26Å; L125-Q137 PolarHBondContact O-NE2 2.87Å |
| 126 | W | 90.9 | Very high | 85 | Confident | 168 Ų | 168 | 87.6 Ų | 87.6 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60.7 | -48.9 | 174.3 | -180 | -93.9 | 0 | 0 | 0 | 111.5 | K122 A128 A129 E130 | K122-W126 VanDerWaalsContact O-CB 3.31Å; K122-W126 WeakPolarHBondContact O-CB 3.35Å; K122-W126 PolarHBondContact O-N 2.9Å; W126-A128 VanDerWaalsContact C-N 3.3Å; W126-A128 PolarHBondContact O-N 3.47Å; W126-A129 PolarHBondContact O-N 2.97Å; W126-A129 VanDerWaalsContact O-N 3.12Å; W126-E130 PolarHBondContact NE1-OE2 3.38Å; W126-E130 WeakPolarHBondContact O-CB 3.47Å; W126-E130 PolarHBondContact O-N 2.92Å |
| 127 | K | 90.8 | Very high | 84.3 | Confident | 155 Ų | 155 | 83.4 Ų | 83.4 | 67% | 0.674 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.4 | -40.6 | 179.1 | -171.2 | 176.5 | -177.7 | -178.9 | 0 | 111.8 | K123 G124 S131 | K123-K127 WeakPolarHBondContact O-CB 3.11Å; K123-K127 PolarHBondContact O-N 3.44Å; G124-K127 PolarHBondContact O-N 3.11Å; K127-S131 VanDerWaalsContact O-CB 3.25Å; K127-S131 WeakPolarHBondContact O-CB 3.25Å; K127-S131 PolarHBondContact O-N 3.26Å; K127-S131 PolarHBondContact O-OG 3.4Å; K127-S131 VanDerWaalsContact O-OG 3.1Å |
| 128 | A | 88.3 | Confident | 84 | Confident | 32 Ų | 32 | 82.8 Ų | 82.8 | 26% | 0.264 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I104 G124 L125 W126 S131 G132 | I104-A128 HydrophobicContact CD1-CB 3.91Å; G124-A128 WeakPolarHBondContact O-CB 3.06Å; G124-A128 PolarHBondContact O-N 3.18Å; L125-A128 PolarHBondContact O-N 2.81Å; W126-A128 VanDerWaalsContact C-N 3.3Å; W126-A128 PolarHBondContact O-N 3.47Å; A128-S131 PolarHBondContact O-OG 3.39Å; A128-G132 PolarHBondContact O-N 2.98Å |
| 129 | A | 86.7 | Confident | 83.4 | Confident | 24 Ų | 24 | 82.7 Ų | 82.7 | 20% | 0.198 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -71.4 | -34.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L125 W126 A135 Q137 | L125-A129 PolarHBondContact O-N 3.26Å; W126-A129 PolarHBondContact O-N 2.97Å; W126-A129 VanDerWaalsContact O-N 3.12Å; A129-A135 HydrophobicContact CB-CB 4.2Å; A129-Q137 HydrophobicContact CB-CG 4.36Å |
| 130 | E | 85.9 | Confident | 82.6 | Confident | 139 Ų | 139 | 83.8 Ų | 83.8 | 65% | 0.65 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -73.4 | -34.1 | 176.8 | -172.5 | 169.3 | -157.9 | 0 | 0 | 112 | W126 | W126-E130 PolarHBondContact NE1-OE2 3.38Å; W126-E130 WeakPolarHBondContact O-CB 3.47Å; W126-E130 PolarHBondContact O-N 2.92Å |
| 131 | S | 79.8 | Confident | 80.9 | Confident | 97 Ų | 97 | 87.1 Ų | 87.1 | 68% | 0.678 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -72.5 | -30 | -179.8 | 68.1 | 0 | 0 | 0 | 0 | 114.1 | K127 A128 | K127-S131 VanDerWaalsContact O-CB 3.25Å; K127-S131 WeakPolarHBondContact O-CB 3.25Å; K127-S131 PolarHBondContact O-N 3.26Å; K127-S131 PolarHBondContact O-OG 3.4Å; K127-S131 VanDerWaalsContact O-OG 3.1Å; A128-S131 PolarHBondContact O-OG 3.39Å |
| 132 | G | 67.3 | Low | 80.4 | Confident | 19 Ų | 19 | 87 Ų | 87 | 20% | 0.196 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -88.8 | 115.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | A128 S134 A135 | A128-G132 PolarHBondContact O-N 2.98Å; G132-S134 PolarHBondContact O-N 3.5Å; G132-A135 PolarHBondContact O-N 3.34Å |
| 133 | S | 61.9 | Low | 79.9 | Confident | 104 Ų | 104 | 83.9 Ų | 83.9 | 73% | 0.727 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 4.5 | 179 | 55.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 134 | S | 72.7 | Confident | 79.2 | Confident | 20 Ų | 20 | 81.1 Ų | 81.1 | 14% | 0.14 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -162.5 | 43.9 | 172.1 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | K98 P100 T101 G132 L136 | K98-S134 VanDerWaalsContact CD-OG 3.29Å; K98-S134 WeakPolarHBondContact CD-OG 3.44Å; P100-S134 WeakPolarHBondContact CA-O 3.31Å; P100-S134 WeakPolarHBondContact CB-O 3.29Å; T101-S134 PolarHBondContact N-O 3.04Å; G132-S134 PolarHBondContact O-N 3.5Å; S134-L136 PolarHBondContact O-N 2.88Å |
| 135 | A | 74.6 | Confident | 78.5 | Confident | 25 Ų | 25 | 83.2 Ų | 83.2 | 21% | 0.207 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 129.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A129 G132 | A129-A135 HydrophobicContact CB-CB 4.2Å; G132-A135 PolarHBondContact O-N 3.34Å |
| 136 | L | 79 | Confident | 77.6 | Confident | 63 Ų | 63 | 86.4 Ų | 86.4 | 33% | 0.33 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123 | 173.8 | -175.2 | 65.7 | 0 | 0 | 0 | 109.7 | P100 L102 I104 S134 V138 | P100-L136 HydrophobicContact CB-CB 3.68Å; P100-L136 HydrophobicContact CG-CB 3.96Å; P100-L136 HydrophobicContact CG-CD2 4.17Å; L102-L136 PolarHBondContact O-N 2.84Å; I104-L136 PolarHBondContact N-O 2.83Å; S134-L136 PolarHBondContact O-N 2.88Å; L136-V138 HydrophobicContact CD2-CG2 4.45Å; L136-V138 HydrophobicContact CG-CG2 4.39Å |
| 137 | Q | 75.9 | Confident | 76.7 | Confident | 73 Ų | 73 | 81 Ų | 81 | 34% | 0.341 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 121.3 | 173.6 | -65.7 | 179.9 | -6 | 0 | 0 | 109.3 | L125 A129 | L125-Q137 PolarHBondContact O-NE2 2.87Å; A129-Q137 HydrophobicContact CB-CG 4.36Å |
| 138 | V | 81.3 | Confident | 75.7 | Confident | 63 Ų | 63 | 75.7 Ų | 75.7 | 38% | 0.382 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 115.3 | 172.6 | -177.5 | 0 | 0 | 0 | 0 | 107.4 | I103 I104 T105 V106 L136 | I103-V138 HydrophobicContact CG2-CG2 4.26Å; I104-V138 PolarHBondContact O-N 3.38Å; T105-V138 WeakPolarHBondContact CA-O 3.42Å; T105-V138 HydrophobicContact CG2-CB 4.43Å; T105-V138 HydrophobicContact CG2-CG1 4.47Å; V106-V138 PolarHBondContact N-O 2.99Å; L136-V138 HydrophobicContact CD2-CG2 4.45Å; L136-V138 HydrophobicContact CG-CG2 4.39Å |
| 139 | I | 76.8 | Confident | 74.8 | Confident | 111 Ų | 111 | 79.1 Ų | 79.1 | 57% | 0.569 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.5 | 178 | -58.4 | 173.9 | 0 | 0 | 0 | 107.2 | ||
| 140 | Q | 73.5 | Confident | 73.8 | Confident | 120 Ų | 120 | 83.7 Ų | 83.7 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 111.3 | 171 | -171.3 | 173 | -37.4 | 0 | 0 | 107.9 | V106 F107 | V106-Q140 PolarHBondContact O-N 2.75Å; F107-Q140 HydrophobicContact CD1-CB 3.97Å; F107-Q140 HydrophobicContact CD1-CG 4.44Å; F107-Q140 HydrophobicContact CE1-CB 3.99Å; F107-Q140 HydrophobicContact CE1-CG 4.37Å |
| 141 | C | 56.3 | Low | 72.7 | Confident | 170 Ų | 170 | 78.6 Ų | 78.6 | 100% | 1.149 | 48% | 0.48 | S | S | * | . | trans | -83.6 | 0 | 173.6 | -58.9 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 141 of 141 residues in 195.7 ms
(Link to these results)