| 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 | 37.1 | Very low | 34.8 | Very low | 223 Ų | 223 | 147.3 Ų | 147.3 | 100% | 1.099 | 82% | 0.817 | S | S | * | * | 0 | 82.6 | 0 | -83.9 | 175.3 | 167 | 0 | 0 | 106 | |||||
| 2 | E | 34 | Very low | 34.8 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | 70.9 | 102.9 | 85.5 | -73.5 | 176.8 | 140.8 | 0 | 0 | 109.3 | |||||
| 3 | M | 33.2 | Very low | 34.8 | Very low | 149 Ų | 149 | 145 Ų | 145 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | 73.9 | 136.9 | 93.7 | -79.4 | -179.4 | 158 | 0 | 0 | 110.1 | |||||
| 4 | E | 36 | Very low | 35 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | cis | -173.2 | 140.7 | 5 | -106.3 | 160.6 | 155.2 | 0 | 0 | 103 | ||||
| 5 | S | 35.6 | Very low | 35.4 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -107.1 | 110.3 | 160.5 | 77.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 6 | S | 38.1 | Very low | 35.6 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -60.3 | 123.4 | 171 | 48.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 7 | V | 33.8 | Very low | 35.9 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | 42.4 | 116.3 | 104.2 | -177.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 8 | N | 36.8 | Very low | 36.4 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -136.9 | 119.3 | 137.5 | -93.2 | -16.8 | 0 | 0 | 0 | 108.9 | ||||
| 9 | T | 31.2 | Very low | 36.4 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | trans | -68.3 | 137.2 | 173 | -44.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 10 | E | 37.5 | Very low | 36.6 | Very low | 196 Ų | 196 | 144.8 Ų | 144.8 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | -157 | 133.1 | 144.8 | -113.6 | 168.3 | 179.9 | 0 | 0 | 111.2 | ||||
| 11 | A | 29.9 | Very low | 36.5 | Very low | 94 Ų | 94 | 146.3 Ų | 146.3 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | -71.4 | 141.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 12 | S | 33.7 | Very low | 36.7 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -129.8 | 89.6 | 164.8 | 175.5 | 0 | 0 | 0 | 0 | 107.8 | F14 | S12-F14 PolarHBondContact O-N 3.39Š| ||
| 13 | D | 35.4 | Very low | 36.7 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | -55.5 | 97.1 | 159 | -81.5 | -44.4 | 0 | 0 | 0 | 108.6 | ||||
| 14 | F | 37.2 | Very low | 36.9 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | -137.8 | 95.1 | 172.8 | -136.6 | -99.5 | 0 | 0 | 0 | 112.8 | S12 | S12-F14 PolarHBondContact O-N 3.39Š| ||
| 15 | N | 41.2 | Very low | 37 | Very low | 77 Ų | 77 | 139 Ų | 139 | 41% | 0.412 | 77% | 0.765 | S | S | . | * | trans | 75.4 | 84.7 | 140 | -128 | 21.5 | 0 | 0 | 0 | 117.9 | D17 R71 | N15-D17 PolarHBondContact O-N 3.15Å; N15-R71 PolarHBondContact OD1-NH2 3.38Å | ||
| 16 | Q | 39.1 | Very low | 37.1 | Very low | 194 Ų | 194 | 141.2 Ų | 141.2 | 91% | 0.907 | 76% | 0.762 | S | S | * | * | trans | -69.7 | 8.4 | 167.4 | -80.2 | 179.6 | -14.8 | 0 | 0 | 114.9 | T18 | Q16-T18 PolarHBondContact O-N 3Š| ||
| 17 | D | 39.8 | Very low | 37 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 8.2 | -165.8 | -75.6 | -15.2 | 0 | 0 | 0 | 116 | N15 R71 | N15-D17 PolarHBondContact O-N 3.15Å; D17-R71 IonicContact OD2-NH2 3.76Å; D17-R71 PolarHBondContact OD2-NH2 2.75Å; D17-R71 VanDerWaalsContact OD2-NH2 3.13Å |
| 18 | T | 46 | Very low | 37 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 10.7 | -170 | 37.7 | 0 | 0 | 0 | 0 | 117 | Q16 R20 | Q16-T18 PolarHBondContact O-N 3Å; T18-R20 PolarHBondContact O-N 3.39Å |
| 19 | V | 35.8 | Very low | 36.9 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -85.4 | 90 | 172.8 | -171.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 20 | R | 41.5 | Very low | 37.3 | Very low | 192 Ų | 192 | 147.6 Ų | 147.6 | 73% | 0.725 | 77% | 0.768 | S | S | * | * | trans | -95.9 | 115 | 163.1 | -94.7 | -171.2 | -179.7 | -165.3 | 0.4 | 109.5 | T18 V22 Y126 | T18-R20 PolarHBondContact O-N 3.39Å; R20-V22 PolarHBondContact O-N 3.46Å; R20-Y126 PolarHBondContact NH1-OH 3.2Å | ||
| 21 | E | 33.3 | Very low | 37.4 | Very low | 177 Ų | 177 | 146.6 Ų | 146.6 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | -69.8 | 121.2 | 170.4 | -162.3 | 172.5 | -161.9 | 0 | 0 | 109.1 | ||||
| 22 | V | 40.8 | Very low | 37.6 | Very low | 92 Ų | 92 | 147.5 Ų | 147.5 | 56% | 0.558 | 76% | 0.764 | S | S | * | * | trans | -103.2 | 111.2 | 172.7 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | R20 Y227 | R20-V22 PolarHBondContact O-N 3.46Å; V22-Y227 PolarHBondContact O-OH 3.15Å | ||
| 23 | M | 35.7 | Very low | 37.5 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | trans | -69.9 | 129.7 | 173 | -91.2 | -159 | 153.1 | 0 | 0 | 110.3 | ||||
| 24 | P | 36.9 | Very low | 37.2 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | trans | -70.1 | 130.1 | 168.1 | 28.3 | -30 | 0 | 0 | 0 | 109.4 | E26 | P24-E26 PolarHBondContact O-N 3.42Å; P24-E26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | L | 37.8 | Very low | 36.9 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | trans | -67.8 | 103.6 | 173.2 | -158.4 | 93.9 | 0 | 0 | 0 | 108.4 | R27 | L25-R27 PolarHBondContact O-N 3Š| ||
| 26 | E | 37.4 | Very low | 36.5 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -61 | 119.1 | 168.1 | -92 | 174.9 | 137.8 | 0 | 0 | 109 | P24 | P24-E26 PolarHBondContact O-N 3.42Å; P24-E26 VanDerWaalsContact O-N 3.14Å | ||
| 27 | R | 37.2 | Very low | 36.5 | Very low | 243 Ų | 243 | 144 Ų | 144 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | trans | -102.2 | 92.8 | 170.3 | -154.9 | 178.6 | -167.6 | 164.1 | 2.3 | 106.7 | L25 | L25-R27 PolarHBondContact O-N 3Š| ||
| 28 | D | 33.7 | Very low | 36.1 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | trans | -64.4 | 141.7 | 174.2 | -80.5 | -37.6 | 0 | 0 | 0 | 112 | ||||
| 29 | S | 34.8 | Very low | 35.7 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 73.6 | 113.8 | 143.7 | 53.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 30 | L | 37.7 | Very low | 35.8 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | 147.3 | 83.8 | 137.3 | -82.3 | 155.3 | 0 | 0 | 0 | 110.5 | ||||
| 31 | E | 39.6 | Very low | 35.4 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | 55.5 | 114.8 | 92.1 | -100.8 | -168.2 | 121 | 0 | 0 | 117.3 | |||||
| 32 | S | 34.3 | Very low | 35.5 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 85.2 | 117.4 | 133.5 | -60.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 33 | G | 32.9 | Very low | 35 | Very low | 83 Ų | 83 | 147.5 Ų | 147.5 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | 165.6 | 86.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 34 | S | 29.3 | Very low | 34.7 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -70.8 | 141 | 175 | 61.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 35 | F | 30.8 | Very low | 34.5 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -153.3 | 132.2 | 147.9 | -162.7 | -108.9 | 0 | 0 | 0 | 112.4 | V37 | F35-V37 HydrophobicContact CD1-CG2 4.08Å; F35-V37 HydrophobicContact CE1-CG2 3.62Å | ||
| 36 | V | 32.7 | Very low | 34.1 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 66% | 0.655 | 77% | 0.774 | S | S | * | * | trans | -95.7 | 133.5 | -175.4 | 169.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 37 | V | 38.2 | Very low | 33.9 | Very low | 126 Ų | 126 | 142 Ų | 142 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -147.8 | 109.4 | 152.8 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | F35 | F35-V37 HydrophobicContact CD1-CG2 4.08Å; F35-V37 HydrophobicContact CE1-CG2 3.62Å | ||
| 38 | D | 31.7 | Very low | 33.5 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -72.5 | 137.7 | 159.6 | -76.4 | -59 | 0 | 0 | 0 | 109.4 | ||||
| 39 | D | 38.1 | Very low | 33.4 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -160.6 | 130.3 | 132 | -133 | -10.7 | 0 | 0 | 0 | 113.4 | ||||
| 40 | E | 37.9 | Very low | 33.3 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -1.3 | 128.6 | 155.7 | -75.4 | -170.8 | 88.2 | 0 | 0 | 119.4 | ||||
| 41 | L | 32.8 | Very low | 32.9 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 71% | 0.707 | 79% | 0.794 | S | S | * | * | 108.3 | 124.1 | 71.8 | -171.1 | 88.9 | 0 | 0 | 0 | 109.1 | |||||
| 42 | Q | 34.4 | Very low | 32.5 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | 148.4 | 92.9 | 144.7 | -80.8 | 175.7 | 45.8 | 0 | 0 | 108.9 | ||||
| 43 | L | 31.1 | Very low | 32.4 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | 73.6 | 116.2 | 85 | -156.7 | 91.9 | 0 | 0 | 0 | 112.5 | |||||
| 44 | S | 29.1 | Very low | 32.6 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | trans | 111.1 | 116.6 | 138.4 | -144.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 45 | T | 32.3 | Very low | 32.8 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | 68.3 | 108.5 | 136.7 | 38.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 46 | G | 30.4 | Very low | 33.2 | Very low | 58 Ų | 58 | 142.3 Ų | 142.3 | 60% | 0.598 | 78% | 0.784 | S | S | * | * | trans | 148.5 | 137.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 47 | Y | 32.7 | Very low | 33.5 | Very low | 226 Ų | 226 | 141.6 Ų | 141.6 | 89% | 0.886 | 77% | 0.774 | S | S | * | * | trans | 89.7 | 71.4 | 161.2 | -45.6 | -74.6 | 0 | 0 | 0 | 117 | ||||
| 48 | E | 28.7 | Very low | 33.3 | Very low | 185 Ų | 185 | 144.8 Ų | 144.8 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | -50.8 | 156.3 | 128.8 | -66.4 | 178.9 | 129.4 | 0 | 0 | 109.2 | |||||
| 49 | T | 31.9 | Very low | 33.6 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | trans | 75.1 | 82 | -175.2 | 26.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 50 | Q | 32.1 | Very low | 34 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | -175.7 | 9.8 | 143.4 | -107.3 | 170.1 | 19.1 | 0 | 0 | 117.9 | A52 | Q50-A52 VanDerWaalsContact C-N 3.26Å; Q50-A52 PolarHBondContact O-N 3.25Å; Q50-A52 VanDerWaalsContact O-N 3.15Å | ||
| 51 | C | 30.6 | Very low | 34.1 | Very low | 145 Ų | 145 | 133 Ų | 133 | 98% | 0.98 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 13.1 | -177.3 | -78.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 52 | A | 31.2 | Very low | 34.8 | Very low | 108 Ų | 108 | 129 Ų | 129 | 89% | 0.893 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 13.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q50 | Q50-A52 VanDerWaalsContact C-N 3.26Å; Q50-A52 PolarHBondContact O-N 3.25Å; Q50-A52 VanDerWaalsContact O-N 3.15Å |
| 53 | G | 31.8 | Very low | 35.5 | Very low | 67 Ų | 67 | 126.5 Ų | 126.5 | 69% | 0.691 | 69% | 0.688 | S | S | * | * | trans | -109.3 | 6.2 | -174 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 54 | Q | 36.5 | Very low | 36.5 | Very low | 169 Ų | 169 | 120.8 Ų | 120.8 | 79% | 0.79 | 66% | 0.661 | S | S | * | * | trans | -114.4 | 36.2 | -172.5 | -72.1 | -168.3 | -22.2 | 0 | 0 | 114.1 | H56 | Q54-H56 PolarHBondContact O-N 3.43Š| ||
| 55 | Q | 33.3 | Very low | 37.9 | Very low | 193 Ų | 193 | 118 Ų | 118 | 90% | 0.902 | 64% | 0.638 | S | S | * | * | trans | -67.1 | 90.1 | 153 | -89 | -169.4 | -41 | 0 | 0 | 107.2 | E57 | Q55-E57 VanDerWaalsContact C-N 3.25Å; Q55-E57 PolarHBondContact O-N 3.28Å | ||
| 56 | H | 39.3 | Very low | 39.1 | Very low | 141 Ų | 141 | 116.6 Ų | 116.6 | 65% | 0.653 | 63% | 0.63 | S | S | * | * | trans | -60.7 | 88 | 179.9 | -158.4 | 42.8 | 0 | 0 | 0 | 108.6 | Q54 R58 | Q54-H56 PolarHBondContact O-N 3.43Å; H56-R58 PolarHBondContact O-N 3.38Å | ||
| 57 | E | 39.1 | Very low | 40.7 | Very low | 94 Ų | 94 | 114.7 Ų | 114.7 | 44% | 0.439 | 61% | 0.605 | S | S | . | * | trans | -63.3 | 76.8 | 171.2 | -165.8 | 180 | -132.4 | 0 | 0 | 107.2 | Q55 S59 N243 R245 | Q55-E57 VanDerWaalsContact C-N 3.25Å; Q55-E57 PolarHBondContact O-N 3.28Å; E57-S59 VanDerWaalsContact C-N 3.3Å; E57-S59 PolarHBondContact O-N 3.27Å; E57-N243 HydrophobicContact CG-CB 4.03Å; E57-N243 PolarHBondContact OE1-ND2 2.81Å; E57-R245 IonicContact OE2-CZ 3.45Å; E57-R245 IonicContact OE2-NH1 2.72Å; E57-R245 PolarHBondContact OE2-NH1 3.45Å; E57-R245 IonicContact OE2-NH2 3.52Å | ||
| 58 | R | 35.3 | Very low | 42 | Very low | 192 Ų | 192 | 108.4 Ų | 108.4 | 73% | 0.725 | 58% | 0.58 | S | S | * | * | trans | -58.6 | 101.6 | 168.5 | -91.6 | -174.9 | 178.9 | 176 | 0.2 | 105.7 | H56 M242 | H56-R58 PolarHBondContact O-N 3.38Å; R58-M242 HydrophobicContact CB-CE 4.45Å; R58-M242 WeakPolarHBondContact O-CE 3.42Å; R58-M242 VanDerWaalsContact O-CG 3.28Å; R58-M242 WeakPolarHBondContact O-CG 3.42Å | ||
| 59 | S | 37.5 | Very low | 44 | Very low | 39 Ų | 39 | 104.4 Ų | 104.4 | 27% | 0.273 | 56% | 0.561 | S | S | . | * | trans | -95.7 | 103.9 | 169.3 | 154 | 0 | 0 | 0 | 0 | 106.9 | E57 M61 N243 | E57-S59 VanDerWaalsContact C-N 3.3Å; E57-S59 PolarHBondContact O-N 3.27Å; S59-M61 PolarHBondContact O-N 3.27Å; S59-M61 VanDerWaalsContact O-N 3.15Å; S59-N243 VanDerWaalsContact CA-O 3.32Å; S59-N243 WeakPolarHBondContact CA-O 3.34Å; S59-N243 WeakPolarHBondContact CB-O 3.23Å | ||
| 60 | I | 45.1 | Very low | 46.1 | Very low | 96 Ų | 96 | 100.9 Ų | 100.9 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | trans | -76.8 | 101.8 | 165.8 | -65.1 | 157.4 | 0 | 0 | 0 | 103.5 | T62 M242 | I60-T62 HydrophobicContact CG2-CG2 3.86Å; I60-T62 PolarHBondContact O-N 3.3Å; I60-M242 HydrophobicContact CB-CE 3.4Å; I60-M242 HydrophobicContact CD1-CE 3.34Å; I60-M242 HydrophobicContact CD1-SD 3.79Å; I60-M242 HydrophobicContact CG1-CE 3.16Å; I60-M242 HydrophobicContact CG1-SD 4.28Å | ||
| 61 | M | 41.2 | Very low | 48.6 | Very low | 62 Ų | 62 | 99.2 Ų | 99.2 | 31% | 0.305 | 53% | 0.526 | S | S | . | . | trans | -69 | 97.8 | 170.8 | -91.8 | 163.4 | 153.6 | 0 | 0 | 108.5 | S59 R245 A248 T253 L256 | S59-M61 PolarHBondContact O-N 3.27Å; S59-M61 VanDerWaalsContact O-N 3.15Å; M61-R245 VanDerWaalsContact CA-O 3.3Å; M61-R245 WeakPolarHBondContact CA-O 3.12Å; M61-R245 WeakPolarHBondContact CG-O 3.06Å; M61-A248 HydrophobicContact CE-CB 3.37Å; M61-A248 HydrophobicContact SD-CB 3.44Å; M61-A248 WeakPolarHBondContact SD-CB 3.48Å; M61-T253 HydrophobicContact CB-CG2 4.49Å; M61-L256 HydrophobicContact SD-CD1 4.26Å | ||
| 62 | T | 47.1 | Very low | 51.2 | Low | 49 Ų | 49 | 94.9 Ų | 94.9 | 30% | 0.301 | 50% | 0.498 | S | S | . | . | trans | -89.5 | 129.6 | 171.5 | 54 | 0 | 0 | 0 | 0 | 109 | I60 T64 V244 T246 | I60-T62 HydrophobicContact CG2-CG2 3.86Å; I60-T62 PolarHBondContact O-N 3.3Å; T62-T64 VanDerWaalsContact CB-OG1 3.28Å; T62-T64 WeakPolarHBondContact CB-OG1 3.28Å; T62-T64 PolarHBondContact O-N 3.05Å; T62-T64 PolarHBondContact OG1-OG1 3.36Å; T62-V244 WeakPolarHBondContact OG1-CG1 3.43Å; T62-T246 WeakPolarHBondContact O-CG2 3.49Å | ||
| 63 | D | 48.6 | Very low | 53.8 | Low | 121 Ų | 121 | 90 Ų | 90 | 65% | 0.647 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -72.5 | 17.6 | 174.4 | -150.9 | 16.3 | 0 | 0 | 0 | 113 | ||
| 64 | T | 52.4 | Low | 56.5 | Low | 48 Ų | 48 | 90 Ų | 90 | 29% | 0.294 | 44% | 0.441 | S | S | . | . | B | Isolated β-bridge | trans | -104.8 | 116 | -175.5 | 58.2 | 0 | 0 | 0 | 0 | 109.4 | T62 V66 P127 T246 | T62-T64 VanDerWaalsContact CB-OG1 3.28Å; T62-T64 WeakPolarHBondContact CB-OG1 3.28Å; T62-T64 PolarHBondContact O-N 3.05Å; T62-T64 PolarHBondContact OG1-OG1 3.36Å; T64-V66 PolarHBondContact O-N 2.78Å; T64-P127 WeakPolarHBondContact CA-O 3.41Å; T64-T246 WeakPolarHBondContact O-CG2 3.29Å |
| 65 | I | 58.7 | Low | 59.1 | Low | 31 Ų | 31 | 87.7 Ų | 87.7 | 16% | 0.159 | 43% | 0.433 | C | S | . | . | trans | -75.8 | 119.1 | 172.2 | -62.1 | 177.7 | 0 | 0 | 0 | 107.6 | L67 P127 R129 L132 | I65-L67 PolarHBondContact O-N 2.84Å; I65-L67 VanDerWaalsContact O-N 3.09Å; I65-P127 PolarHBondContact N-O 2.74Å; I65-P127 WeakPolarHBondContact O-CB 2.86Å; I65-P127 WeakPolarHBondContact O-CG 3.41Å; I65-R129 HydrophobicContact CD1-CB 3.79Å; I65-R129 HydrophobicContact CD1-CG 3.88Å; I65-R129 HydrophobicContact CG1-CB 4.31Å; I65-L132 HydrophobicContact CD1-CD2 3.66Å | ||
| 66 | V | 57.2 | Low | 61.8 | Low | 105 Ų | 105 | 79.2 Ų | 79.2 | 64% | 0.636 | 40% | 0.395 | S | S | * | . | trans | -71.4 | 104.6 | 169.8 | -178 | 0 | 0 | 0 | 0 | 107.7 | T64 R68 | T64-V66 PolarHBondContact O-N 2.78Å; V66-R68 PolarHBondContact O-N 2.78Å | ||
| 67 | L | 63.5 | Low | 64.3 | Low | 17 Ų | 17 | 72.5 Ų | 72.5 | 9% | 0.089 | 36% | 0.364 | C | S | . | . | trans | -59.8 | 121.7 | 169.9 | -97.3 | 70.2 | 0 | 0 | 0 | 108.1 | I65 H69 P70 V73 V123 P127 | I65-L67 PolarHBondContact O-N 2.84Å; I65-L67 VanDerWaalsContact O-N 3.09Å; L67-H69 PolarHBondContact O-N 3.29Å; L67-P70 HydrophobicContact CB-CB 4.48Å; L67-P70 WeakPolarHBondContact O-CD 3.36Å; L67-V73 HydrophobicContact CD2-CB 4.19Å; L67-V73 HydrophobicContact CD2-CG1 4.24Å; L67-V73 HydrophobicContact CD2-CG2 4.02Å; L67-V123 HydrophobicContact CD2-CG2 4.32Å; L67-P127 HydrophobicContact CD1-CB 3.68Å; L67-P127 HydrophobicContact CD1-CG 4.33Å | ||
| 68 | R | 61.7 | Low | 66.9 | Low | 95 Ų | 95 | 70 Ų | 70 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -57.9 | -37.5 | 179.1 | -81.3 | -175.5 | 169.6 | 147.1 | -7.5 | 112.9 | V66 N214 T217 E221 | V66-R68 PolarHBondContact O-N 2.78Å; R68-N214 PolarHBondContact N-OD1 3.4Å; R68-T217 PolarHBondContact NH1-OG1 2.64Å; R68-E221 IonicContact CZ-OE2 2.63Å; R68-E221 IonicContact NE-OE2 3.22Å; R68-E221 IonicContact NH2-OE2 3.64Å; R68-E221 PolarHBondContact NH2-OE2 3.49Å |
| 69 | H | 70 | Confident | 69.8 | Low | 101 Ų | 101 | 62.8 Ų | 62.8 | 47% | 0.468 | 34% | 0.34 | S | S | . | . | trans | -134.7 | 75 | -175.8 | -59.6 | -55.7 | 0 | 0 | 0 | 111.1 | L67 R71 S72 V73 | L67-H69 PolarHBondContact O-N 3.29Å; H69-R71 VanDerWaalsContact C-N 3.26Å; H69-R71 PolarHBondContact O-N 3.17Å; H69-S72 PolarHBondContact O-N 3.05Å; H69-V73 PolarHBondContact O-N 3.18Å | ||
| 70 | P | 76.9 | Confident | 72.5 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.5 | -33.9 | -178.2 | 27.1 | -33.5 | 0 | 0 | 0 | 111.4 | L67 L74 V123 | L67-P70 HydrophobicContact CB-CB 4.48Å; L67-P70 WeakPolarHBondContact O-CD 3.36Å; P70-L74 VanDerWaalsContact O-CB 3.29Å; P70-L74 WeakPolarHBondContact O-CB 3.44Å; P70-L74 PolarHBondContact O-N 3.25Å; P70-V123 HydrophobicContact CB-CG1 4.26Å |
| 71 | R | 83.8 | Confident | 74.9 | Confident | 149 Ų | 149 | 58.3 Ų | 58.3 | 56% | 0.562 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 177 | -65.4 | -174.9 | -177.4 | 162.4 | 4.8 | 111.6 | N15 D17 H69 L74 I75 | N15-R71 PolarHBondContact OD1-NH2 3.38Å; D17-R71 IonicContact OD2-NH2 3.76Å; D17-R71 PolarHBondContact OD2-NH2 2.75Å; D17-R71 VanDerWaalsContact OD2-NH2 3.13Å; H69-R71 VanDerWaalsContact C-N 3.26Å; H69-R71 PolarHBondContact O-N 3.17Å; R71-L74 PolarHBondContact O-N 3.46Å; R71-I75 VanDerWaalsContact O-CG1 3.26Å; R71-I75 WeakPolarHBondContact O-CG1 3.38Å; R71-I75 PolarHBondContact O-N 3.41Å |
| 72 | S | 85.2 | Confident | 77.5 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.7 | -41.6 | -179.8 | -51.9 | 0 | 0 | 0 | 0 | 112.3 | H69 L74 I75 C76 | H69-S72 PolarHBondContact O-N 3.05Å; S72-L74 VanDerWaalsContact C-N 3.34Å; S72-I75 PolarHBondContact O-N 3.38Å; S72-C76 WeakPolarHBondContact O-CB 3.32Å; S72-C76 PolarHBondContact O-N 3.01Å |
| 73 | V | 84.9 | Confident | 79.7 | Confident | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 174.9 | 177 | 0 | 0 | 0 | 0 | 110.6 | L67 H69 C76 A77 V123 L210 | L67-V73 HydrophobicContact CD2-CB 4.19Å; L67-V73 HydrophobicContact CD2-CG1 4.24Å; L67-V73 HydrophobicContact CD2-CG2 4.02Å; H69-V73 PolarHBondContact O-N 3.18Å; V73-C76 PolarHBondContact O-N 2.7Å; V73-A77 WeakPolarHBondContact O-CB 3.28Å; V73-A77 PolarHBondContact O-N 3.29Å; V73-V123 HydrophobicContact CB-CG2 4.19Å; V73-V123 HydrophobicContact CG1-CG2 3.78Å; V73-L210 HydrophobicContact CG2-CB 4.44Å; V73-L210 HydrophobicContact CG2-CD1 4.32Å |
| 74 | L | 88.8 | Confident | 81.9 | Confident | 67 Ų | 67 | 52.2 Ų | 52.2 | 35% | 0.351 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 177.7 | -173.3 | 67.8 | 0 | 0 | 0 | 112.3 | P70 R71 S72 C76 A77 A78 I120 V123 | P70-L74 VanDerWaalsContact O-CB 3.29Å; P70-L74 WeakPolarHBondContact O-CB 3.44Å; P70-L74 PolarHBondContact O-N 3.25Å; R71-L74 PolarHBondContact O-N 3.46Å; S72-L74 VanDerWaalsContact C-N 3.34Å; L74-C76 VanDerWaalsContact C-N 3.33Å; L74-C76 PolarHBondContact O-N 3.49Å; L74-A77 PolarHBondContact O-N 2.88Å; L74-A78 WeakPolarHBondContact O-CB 3.06Å; L74-A78 PolarHBondContact O-N 2.82Å; L74-I120 HydrophobicContact CD1-CG1 4.48Å; L74-I120 HydrophobicContact CD1-CG2 4.38Å; L74-V123 HydrophobicContact CB-CG1 4.33Å; L74-V123 HydrophobicContact CD1-CB 4.38Å; L74-V123 HydrophobicContact CD1-CG1 4.32Å |
| 75 | I | 91.1 | Very high | 83.9 | Confident | 120 Ų | 120 | 53 Ų | 53 | 62% | 0.615 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 177.1 | -68.6 | 163.9 | 0 | 0 | 0 | 110.2 | R71 S72 A78 A79 | R71-I75 VanDerWaalsContact O-CG1 3.26Å; R71-I75 WeakPolarHBondContact O-CG1 3.38Å; R71-I75 PolarHBondContact O-N 3.41Å; S72-I75 PolarHBondContact O-N 3.38Å; I75-A78 PolarHBondContact O-N 2.84Å; I75-A79 WeakPolarHBondContact O-CB 3.03Å; I75-A79 PolarHBondContact O-N 2.72Å |
| 76 | C | 91.6 | Very high | 85.6 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 10% | 0.101 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 178.9 | -159.4 | 0 | 0 | 0 | 0 | 111.8 | S72 V73 L74 A78 A79 Q80 C203 S207 | S72-C76 WeakPolarHBondContact O-CB 3.32Å; S72-C76 PolarHBondContact O-N 3.01Å; V73-C76 PolarHBondContact O-N 2.7Å; L74-C76 VanDerWaalsContact C-N 3.33Å; L74-C76 PolarHBondContact O-N 3.49Å; C76-A78 VanDerWaalsContact C-N 3.33Å; C76-A78 PolarHBondContact O-N 3.03Å; C76-A79 PolarHBondContact O-N 3.05Å; C76-Q80 WeakPolarHBondContact O-CG 3.4Å; C76-Q80 PolarHBondContact O-N 3.28Å; C76-C203 PolarHBondContact SG-O 2.89Å; C76-C203 VanDerWaalsContact SG-O 3.38Å; C76-S207 PolarHBondContact SG-OG 3.18Å |
| 77 | A | 91.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | V73 L74 L81 I120 | V73-A77 WeakPolarHBondContact O-CB 3.28Å; V73-A77 PolarHBondContact O-N 3.29Å; L74-A77 PolarHBondContact O-N 2.88Å; A77-L81 WeakPolarHBondContact O-CB 3.39Å; A77-L81 PolarHBondContact O-N 3.49Å; A77-I120 HydrophobicContact CB-CG1 3.94Å |
| 78 | A | 93.8 | Very high | 88.6 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 35% | 0.347 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L74 I75 C76 L81 C82 | L74-A78 WeakPolarHBondContact O-CB 3.06Å; L74-A78 PolarHBondContact O-N 2.82Å; I75-A78 PolarHBondContact O-N 2.84Å; C76-A78 VanDerWaalsContact C-N 3.33Å; C76-A78 PolarHBondContact O-N 3.03Å; A78-L81 WeakPolarHBondContact O-CB 3.46Å; A78-L81 PolarHBondContact O-N 3.13Å; A78-C82 PolarHBondContact O-N 2.84Å; A78-C82 PolarHBondContact O-SG 3.47Å; A78-C82 VanDerWaalsContact O-SG 3.37Å |
| 79 | A | 94.7 | Very high | 90 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I75 C76 L81 C82 L83 | I75-A79 WeakPolarHBondContact O-CB 3.03Å; I75-A79 PolarHBondContact O-N 2.72Å; C76-A79 PolarHBondContact O-N 3.05Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 2.94Å; A79-C82 PolarHBondContact O-N 3.02Å; A79-L83 WeakPolarHBondContact O-CG 3.45Å; A79-L83 PolarHBondContact O-N 3.38Å |
| 80 | Q | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 173 | -72.3 | 174.9 | -9.1 | 0 | 0 | 111.7 | C76 C82 L83 A84 S116 C203 T204 S207 | C76-Q80 WeakPolarHBondContact O-CG 3.4Å; C76-Q80 PolarHBondContact O-N 3.28Å; Q80-C82 PolarHBondContact O-N 3.41Å; Q80-L83 PolarHBondContact O-N 3.15Å; Q80-A84 VanDerWaalsContact O-CB 3.23Å; Q80-A84 WeakPolarHBondContact O-CB 3.05Å; Q80-A84 PolarHBondContact O-N 3.14Å; Q80-S116 WeakPolarHBondContact CB-OG 3.35Å; Q80-C203 HydrophobicContact CG-CB 3.71Å; Q80-C203 PolarHBondContact NE2-O 3.22Å; Q80-T204 VanDerWaalsContact NE2-CA 3.32Å; Q80-S207 VanDerWaalsContact NE2-CB 3.29Å; Q80-S207 PolarHBondContact NE2-OG 3.16Å |
| 81 | L | 95.6 | Very high | 91.3 | Very high | 41 Ų | 41 | 43.8 Ų | 43.8 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -45.7 | 177.2 | -176.3 | 62.7 | 0 | 0 | 0 | 111.3 | A77 A78 A79 L83 A84 V85 I113 S116 M117 I120 | A77-L81 WeakPolarHBondContact O-CB 3.39Å; A77-L81 PolarHBondContact O-N 3.49Å; A78-L81 WeakPolarHBondContact O-CB 3.46Å; A78-L81 PolarHBondContact O-N 3.13Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 2.94Å; L81-L83 PolarHBondContact O-N 2.9Å; L81-A84 PolarHBondContact O-N 3.28Å; L81-V85 HydrophobicContact CD1-CG2 4.31Å; L81-V85 HydrophobicContact CG-CG2 4.5Å; L81-V85 WeakPolarHBondContact O-CB 3.28Å; L81-V85 VanDerWaalsContact O-CG2 3.23Å; L81-V85 WeakPolarHBondContact O-CG2 3.35Å; L81-V85 PolarHBondContact O-N 3.29Å; L81-I113 HydrophobicContact CD1-CG2 4.08Å; L81-S116 PolarHBondContact N-OG 2.8Å; L81-M117 HydrophobicContact CD1-CG 4.48Å; L81-M117 HydrophobicContact CD1-SD 4.29Å; L81-M117 HydrophobicContact CD2-SD 4.22Å; L81-I120 HydrophobicContact CD2-CD1 3.87Å |
| 82 | C | 95.5 | Very high | 91.5 | Very high | 79 Ų | 79 | 39.4 Ų | 39.4 | 53% | 0.534 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.6 | -45.6 | 177.1 | -69.6 | 0 | 0 | 0 | 0 | 112 | A78 A79 Q80 V85 Q86 | A78-C82 PolarHBondContact O-N 2.84Å; A78-C82 PolarHBondContact O-SG 3.47Å; A78-C82 VanDerWaalsContact O-SG 3.37Å; A79-C82 PolarHBondContact O-N 3.02Å; Q80-C82 PolarHBondContact O-N 3.41Å; C82-V85 PolarHBondContact O-N 3.04Å; C82-Q86 WeakPolarHBondContact O-CG 3.42Å; C82-Q86 PolarHBondContact O-N 3.06Å |
| 83 | L | 94.8 | Very high | 91.5 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66 | -42.5 | 177.9 | -69.8 | 169.3 | 0 | 0 | 0 | 111.8 | A79 Q80 L81 V85 Q86 I87 F196 A199 H200 C203 | A79-L83 WeakPolarHBondContact O-CG 3.45Å; A79-L83 PolarHBondContact O-N 3.38Å; Q80-L83 PolarHBondContact O-N 3.15Å; L81-L83 PolarHBondContact O-N 2.9Å; L83-V85 VanDerWaalsContact C-N 3.35Å; L83-V85 PolarHBondContact O-N 2.88Å; L83-Q86 PolarHBondContact O-N 2.72Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 3.26Å; L83-I87 PolarHBondContact O-N 2.77Å; L83-F196 HydrophobicContact CD2-CD1 3.77Å; L83-F196 HydrophobicContact CD2-CE1 4.44Å; L83-A199 HydrophobicContact CD1-CB 4.29Å; L83-A199 HydrophobicContact CD2-CB 4.14Å; L83-H200 HydrophobicContact CB-CB 4.24Å; L83-H200 HydrophobicContact CD1-CB 4.37Å; L83-C203 HydrophobicContact CD1-CB 4.4Å |
| 84 | A | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q80 L81 I87 C88 F112 I113 | Q80-A84 VanDerWaalsContact O-CB 3.23Å; Q80-A84 WeakPolarHBondContact O-CB 3.05Å; Q80-A84 PolarHBondContact O-N 3.14Å; L81-A84 PolarHBondContact O-N 3.28Å; A84-I87 PolarHBondContact O-N 3.27Å; A84-C88 WeakPolarHBondContact O-CB 3.29Å; A84-C88 PolarHBondContact O-N 3.31Å; A84-F112 HydrophobicContact CB-CB 3.58Å; A84-I113 HydrophobicContact CB-CG1 3.86Å |
| 85 | V | 95.1 | Very high | 91 | Very high | 66 Ų | 66 | 40 Ų | 40 | 40% | 0.4 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 174.4 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | L81 C82 L83 C88 V89 I113 | L81-V85 HydrophobicContact CD1-CG2 4.31Å; L81-V85 HydrophobicContact CG-CG2 4.5Å; L81-V85 WeakPolarHBondContact O-CB 3.28Å; L81-V85 VanDerWaalsContact O-CG2 3.23Å; L81-V85 WeakPolarHBondContact O-CG2 3.35Å; L81-V85 PolarHBondContact O-N 3.29Å; C82-V85 PolarHBondContact O-N 3.04Å; L83-V85 VanDerWaalsContact C-N 3.35Å; L83-V85 PolarHBondContact O-N 2.88Å; V85-C88 WeakPolarHBondContact O-CB 3.48Å; V85-C88 PolarHBondContact O-N 3.23Å; V85-V89 HydrophobicContact CG1-CG2 4.37Å; V85-V89 WeakPolarHBondContact O-CG2 3.4Å; V85-V89 PolarHBondContact O-N 3.35Å; V85-I113 HydrophobicContact CG2-CD1 4.48Å |
| 86 | Q | 93.9 | Very high | 90.6 | Very high | 76 Ų | 76 | 42.1 Ų | 42.1 | 36% | 0.355 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.3 | -47.8 | 175.9 | -74.7 | 174.2 | -11 | 0 | 0 | 111.8 | C82 L83 C88 V89 F90 | C82-Q86 WeakPolarHBondContact O-CG 3.42Å; C82-Q86 PolarHBondContact O-N 3.06Å; L83-Q86 PolarHBondContact O-N 2.72Å; Q86-C88 PolarHBondContact O-N 2.94Å; Q86-V89 PolarHBondContact O-N 3.23Å; Q86-F90 HydrophobicContact CB-CE2 4.24Å; Q86-F90 WeakPolarHBondContact O-CD2 3.43Å; Q86-F90 WeakPolarHBondContact O-CG 3.11Å; Q86-F90 PolarHBondContact O-N 3.46Å |
| 87 | I | 91.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 175.1 | -65.5 | 166.1 | 0 | 0 | 0 | 110.6 | L83 A84 G91 F112 L149 H193 F196 H200 | L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 3.26Å; L83-I87 PolarHBondContact O-N 2.77Å; A84-I87 PolarHBondContact O-N 3.27Å; I87-G91 PolarHBondContact O-N 3.09Å; I87-F112 HydrophobicContact CD1-CD2 4.3Å; I87-F112 HydrophobicContact CD1-CE2 4.39Å; I87-L149 HydrophobicContact CG2-CD2 3.86Å; I87-H193 PolarHBondContact O-CE1 2.92Å; I87-F196 HydrophobicContact CG1-CB 4.06Å; I87-H200 HydrophobicContact CD1-CB 4.04Å |
| 88 | C | 92.3 | Very high | 88.5 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 21% | 0.209 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -48.7 | 177 | -168 | 0 | 0 | 0 | 0 | 112 | A84 V85 Q86 F90 G91 V92 S109 I113 | A84-C88 WeakPolarHBondContact O-CB 3.29Å; A84-C88 PolarHBondContact O-N 3.31Å; V85-C88 WeakPolarHBondContact O-CB 3.48Å; V85-C88 PolarHBondContact O-N 3.23Å; Q86-C88 PolarHBondContact O-N 2.94Å; C88-F90 VanDerWaalsContact C-N 3.34Å; C88-F90 PolarHBondContact O-N 3.22Å; C88-G91 CarbonylContact O-C 3.6Å; C88-G91 WeakPolarHBondContact O-CA 3.28Å; C88-G91 PolarHBondContact O-N 3.39Å; C88-G91 VanDerWaalsContact O-N 3.13Å; C88-V92 WeakPolarHBondContact O-CG2 3.45Å; C88-V92 PolarHBondContact O-N 2.94Å; C88-S109 PolarHBondContact SG-OG 3.24Å; C88-S109 VanDerWaalsContact SG-OG 3.39Å; C88-I113 HydrophobicContact CB-CD1 4.06Å |
| 89 | V | 91.5 | Very high | 86.7 | Confident | 73 Ų | 73 | 51.6 Ų | 51.6 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 178.9 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | V85 Q86 V92 I93 | V85-V89 HydrophobicContact CG1-CG2 4.37Å; V85-V89 WeakPolarHBondContact O-CG2 3.4Å; V85-V89 PolarHBondContact O-N 3.35Å; Q86-V89 PolarHBondContact O-N 3.23Å; V89-V92 PolarHBondContact O-N 3.46Å; V89-I93 HydrophobicContact CG1-CD1 4.03Å; V89-I93 WeakPolarHBondContact O-CG1 3.33Å; V89-I93 PolarHBondContact O-N 3.29Å |
| 90 | F | 87 | Confident | 84.6 | Confident | 35 Ų | 35 | 54.1 Ų | 54.1 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 176.9 | -64.4 | -47.9 | 0 | 0 | 0 | 112.2 | Q86 C88 V92 I93 C94 M189 L192 H193 F196 | Q86-F90 HydrophobicContact CB-CE2 4.24Å; Q86-F90 WeakPolarHBondContact O-CD2 3.43Å; Q86-F90 WeakPolarHBondContact O-CG 3.11Å; Q86-F90 PolarHBondContact O-N 3.46Å; C88-F90 VanDerWaalsContact C-N 3.34Å; C88-F90 PolarHBondContact O-N 3.22Å; F90-V92 VanDerWaalsContact C-N 3.32Å; F90-V92 PolarHBondContact O-N 3.47Å; F90-I93 HydrophobicContact CD1-CD1 4.32Å; F90-I93 PolarHBondContact O-N 3.27Å; F90-C94 WeakPolarHBondContact O-CB 3.3Å; F90-C94 PolarHBondContact O-N 3.34Å; F90-C94 PolarHBondContact O-SG 3.23Å; F90-M189 HydrophobicContact CD1-CE 4.45Å; F90-M189 HydrophobicContact CD1-SD 3.35Å; F90-M189 WeakPolarHBondContact CD1-SD 3.44Å; F90-M189 HydrophobicContact CE1-SD 3.84Å; F90-M189 HydrophobicContact CG-SD 4.23Å; F90-L192 HydrophobicContact CE1-CD1 3.93Å; F90-L192 HydrophobicContact CE2-CB 4.38Å; F90-L192 HydrophobicContact CZ-CD1 3.92Å; F90-H193 VanDerWaalsContact CB-CD2 3.41Å; F90-H193 WeakPolarHBondContact CB-CD2 3.46Å; F90-H193 WeakPolarHBondContact CB-NE2 2.92Å; F90-F196 HydrophobicContact CD2-CD2 4.21Å; F90-F196 HydrophobicContact CD2-CE2 4.46Å; F90-F196 AromaticContact CE2-CD2 3.65Å; F90-F196 HydrophobicContact CE2-CD2 3.65Å; F90-F196 AromaticContact CE2-CE2 3.48Å; F90-F196 HydrophobicContact CE2-CE2 3.48Å; F90-F196 VanDerWaalsContact CE2-CE2 3.48Å; F90-F196 HydrophobicContact CE2-CZ 4.47Å; F90-F196 HydrophobicContact CZ-CE2 4.1Å |
| 91 | G | 86 | Confident | 83 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I87 C88 H95 H193 | I87-G91 PolarHBondContact O-N 3.09Å; C88-G91 CarbonylContact O-C 3.6Å; C88-G91 WeakPolarHBondContact O-CA 3.28Å; C88-G91 PolarHBondContact O-N 3.39Å; C88-G91 VanDerWaalsContact O-N 3.13Å; G91-H95 WeakPolarHBondContact O-CB 3.49Å; G91-H95 PolarHBondContact O-N 2.67Å; G91-H193 PolarHBondContact N-NE2 2.94Å |
| 92 | V | 88 | Confident | 81.6 | Confident | 58 Ų | 58 | 56.2 Ų | 56.2 | 35% | 0.352 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | C88 V89 F90 C94 H95 F96 L106 | C88-V92 WeakPolarHBondContact O-CG2 3.45Å; C88-V92 PolarHBondContact O-N 2.94Å; V89-V92 PolarHBondContact O-N 3.46Å; F90-V92 VanDerWaalsContact C-N 3.32Å; F90-V92 PolarHBondContact O-N 3.47Å; V92-C94 PolarHBondContact O-N 2.91Å; V92-H95 WeakPolarHBondContact O-CB 3.19Å; V92-H95 PolarHBondContact O-N 3.38Å; V92-H95 VanDerWaalsContact O-N 3.15Å; V92-F96 HydrophobicContact CG1-CD2 3.85Å; V92-F96 HydrophobicContact CG1-CE2 3.6Å; V92-F96 VanDerWaalsContact O-CD2 3.22Å; V92-F96 WeakPolarHBondContact O-CD2 3.5Å; V92-F96 PolarHBondContact O-N 3.37Å; V92-F96 VanDerWaalsContact O-N 3.15Å; V92-L106 HydrophobicContact CB-CD2 4.39Å; V92-L106 HydrophobicContact CG2-CD2 3.61Å |
| 93 | I | 85.5 | Confident | 80.6 | Confident | 49 Ų | 49 | 59.9 Ų | 59.9 | 25% | 0.251 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.7 | -51.4 | 174.7 | -67.9 | 167.2 | 0 | 0 | 0 | 109.4 | V89 F90 H95 F96 Y97 M189 | V89-I93 HydrophobicContact CG1-CD1 4.03Å; V89-I93 WeakPolarHBondContact O-CG1 3.33Å; V89-I93 PolarHBondContact O-N 3.29Å; F90-I93 HydrophobicContact CD1-CD1 4.32Å; F90-I93 PolarHBondContact O-N 3.27Å; I93-H95 PolarHBondContact O-N 3.39Å; I93-F96 PolarHBondContact O-N 2.94Å; I93-Y97 HydrophobicContact CG2-CD2 3.64Å; I93-Y97 HydrophobicContact CG2-CE2 3.83Å; I93-Y97 VanDerWaalsContact O-CD2 3.28Å; I93-Y97 WeakPolarHBondContact O-CD2 3.35Å; I93-Y97 PolarHBondContact O-N 2.95Å; I93-M189 HydrophobicContact CG2-CE 4.31Å; I93-M189 HydrophobicContact CG2-CG 4.33Å; I93-M189 HydrophobicContact CG2-SD 4.4Å |
| 94 | C | 80 | Confident | 79.9 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55.9 | -38.9 | 176.5 | -70.8 | 0 | 0 | 0 | 0 | 112.3 | F90 V92 F96 Y97 D98 Y102 | F90-C94 WeakPolarHBondContact O-CB 3.3Å; F90-C94 PolarHBondContact O-N 3.34Å; F90-C94 PolarHBondContact O-SG 3.23Å; V92-C94 PolarHBondContact O-N 2.91Å; C94-F96 VanDerWaalsContact C-N 3.32Å; C94-F96 PolarHBondContact O-N 3.19Å; C94-Y97 PolarHBondContact O-N 3.21Å; C94-D98 WeakPolarHBondContact O-CA 3.36Å; C94-D98 VanDerWaalsContact O-CB 3.23Å; C94-D98 WeakPolarHBondContact O-CB 3.31Å; C94-D98 PolarHBondContact O-N 2.73Å; C94-Y102 HydrophobicContact CB-CD1 3.51Å; C94-Y102 HydrophobicContact CB-CE1 4.03Å; C94-Y102 HydrophobicContact CB-CG 4.22Å |
| 95 | H | 83.4 | Confident | 79.4 | Confident | 84 Ų | 84 | 59.8 Ų | 59.8 | 39% | 0.389 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.4 | -35.1 | 177.4 | -176 | 53.9 | 0 | 0 | 0 | 113.5 | G91 V92 I93 L106 | G91-H95 WeakPolarHBondContact O-CB 3.49Å; G91-H95 PolarHBondContact O-N 2.67Å; V92-H95 WeakPolarHBondContact O-CB 3.19Å; V92-H95 PolarHBondContact O-N 3.38Å; V92-H95 VanDerWaalsContact O-N 3.15Å; I93-H95 PolarHBondContact O-N 3.39Å; H95-L106 HydrophobicContact CB-CD1 3.99Å |
| 96 | F | 82.8 | Confident | 79.1 | Confident | 165 Ų | 165 | 58.9 Ų | 58.9 | 72% | 0.724 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -79.3 | -35.2 | 178.3 | -78.3 | -68.2 | 0 | 0 | 0 | 113.4 | V92 I93 C94 | V92-F96 HydrophobicContact CG1-CD2 3.85Å; V92-F96 HydrophobicContact CG1-CE2 3.6Å; V92-F96 VanDerWaalsContact O-CD2 3.22Å; V92-F96 WeakPolarHBondContact O-CD2 3.5Å; V92-F96 PolarHBondContact O-N 3.37Å; V92-F96 VanDerWaalsContact O-N 3.15Å; I93-F96 PolarHBondContact O-N 2.94Å; C94-F96 VanDerWaalsContact C-N 3.32Å; C94-F96 PolarHBondContact O-N 3.19Å |
| 97 | Y | 73.2 | Confident | 79 | Confident | 142 Ų | 142 | 61.8 Ų | 61.8 | 56% | 0.557 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -88.5 | -24.2 | -177.2 | -75.6 | -82.7 | 0 | 0 | 0 | 113.7 | I93 C94 I182 | I93-Y97 HydrophobicContact CG2-CD2 3.64Å; I93-Y97 HydrophobicContact CG2-CE2 3.83Å; I93-Y97 VanDerWaalsContact O-CD2 3.28Å; I93-Y97 WeakPolarHBondContact O-CD2 3.35Å; I93-Y97 PolarHBondContact O-N 2.95Å; C94-Y97 PolarHBondContact O-N 3.21Å; Y97-I182 HydrophobicContact CD1-CG1 4.23Å; Y97-I182 HydrophobicContact CD1-CG2 4.16Å; Y97-I182 HydrophobicContact CE1-CG1 4.35Å |
| 98 | D | 66.1 | Low | 78.9 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | trans | -123.4 | 101.8 | -172.7 | -147.6 | 15.5 | 0 | 0 | 0 | 109.2 | C94 C100 K186 Y190 | C94-D98 WeakPolarHBondContact O-CA 3.36Å; C94-D98 VanDerWaalsContact O-CB 3.23Å; C94-D98 WeakPolarHBondContact O-CB 3.31Å; C94-D98 PolarHBondContact O-N 2.73Å; D98-C100 PolarHBondContact O-N 2.83Å; D98-K186 VanDerWaalsContact CG-NZ 3.3Å; D98-K186 IonicContact OD1-NZ 3.05Å; D98-K186 PolarHBondContact OD1-NZ 2.89Å; D98-K186 WeakPolarHBondContact OD2-CE 3.16Å; D98-K186 IonicContact OD2-NZ 3.26Å; D98-K186 PolarHBondContact OD2-NZ 3.17Å; D98-Y190 PolarHBondContact OD2-OH 3.16Å | ||
| 99 | G | 56 | Low | 78.9 | Confident | 85 Ų | 85 | 60.3 Ų | 60.3 | 88% | 0.876 | 32% | 0.32 | S | S | * | . | trans | -66.1 | 16.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 100 | C | 51 | Low | 78.9 | Confident | 91 Ų | 91 | 59 Ų | 59 | 62% | 0.615 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -155.6 | 178.3 | -173.5 | -99.2 | 0 | 0 | 0 | 0 | 111.2 | D98 Y102 | D98-C100 PolarHBondContact O-N 2.83Å; C100-Y102 PolarHBondContact O-N 3.06Å |
| 101 | P | 60.1 | Low | 79.3 | Confident | 83 Ų | 83 | 58.9 Ų | 58.9 | 54% | 0.539 | 32% | 0.322 | S | S | . | . | S | Bend | -65.2 | 16.6 | -102.8 | 40.8 | -35.9 | 0 | 0 | 0 | 117.8 | K103 L156 | P101-K103 PolarHBondContact O-N 2.8Å; P101-L156 HydrophobicContact CG-CD2 4.16Å | |
| 102 | Y | 66.8 | Low | 79.7 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 14.5 | -173.2 | -145 | -116 | 0 | 0 | 0 | 115.7 | C94 C100 S104 S105 T153 L156 Y190 H193 | C94-Y102 HydrophobicContact CB-CD1 3.51Å; C94-Y102 HydrophobicContact CB-CE1 4.03Å; C94-Y102 HydrophobicContact CB-CG 4.22Å; C100-Y102 PolarHBondContact O-N 3.06Å; Y102-S104 PolarHBondContact O-N 2.89Å; Y102-S104 VanDerWaalsContact O-N 3.09Å; Y102-S105 WeakPolarHBondContact CE1-OG 2.97Å; Y102-S105 PolarHBondContact O-N 3.5Å; Y102-S105 PolarHBondContact OH-OG 3.34Å; Y102-T153 PolarHBondContact OH-OG1 3.39Å; Y102-L156 HydrophobicContact CD2-CD1 3.63Å; Y102-L156 HydrophobicContact CE2-CD1 3.84Å; Y102-Y190 HydrophobicContact CE2-CE1 4.5Å; Y102-H193 AromaticContact CE1-CE1 3.74Å; Y102-H193 AromaticContact CZ-CE1 3.85Å; Y102-H193 AromaticContact CZ-ND1 3.87Å; Y102-H193 PolarHBondContact OH-CE1 2.95Å; Y102-H193 PolarHBondContact OH-ND1 3.42Å |
| 103 | K | 73.1 | Confident | 80 | Confident | 157 Ų | 157 | 58.3 Ų | 58.3 | 68% | 0.683 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -56.7 | -25.6 | 171.3 | -69.1 | -174.4 | 178.3 | 178.5 | 0 | 111.7 | P101 S105 W107 | P101-K103 PolarHBondContact O-N 2.8Å; K103-S105 VanDerWaalsContact C-N 3.32Å; K103-S105 PolarHBondContact O-N 3.21Å; K103-W107 VanDerWaalsContact O-CD1 3.3Å |
| 104 | S | 80 | Confident | 80.5 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.7 | -35.8 | -178.7 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | Y102 L106 W107 M108 | Y102-S104 PolarHBondContact O-N 2.89Å; Y102-S104 VanDerWaalsContact O-N 3.09Å; S104-L106 PolarHBondContact O-N 3.35Å; S104-W107 VanDerWaalsContact CA-CD1 3.49Å; S104-W107 VanDerWaalsContact O-CD1 3.27Å; S104-W107 PolarHBondContact O-NE1 3.4Å; S104-M108 VanDerWaalsContact C-CE 3.43Å; S104-M108 WeakPolarHBondContact O-CB 3.37Å; S104-M108 WeakPolarHBondContact O-CE 3.46Å; S104-M108 WeakPolarHBondContact O-CG 3.39Å; S104-M108 PolarHBondContact O-N 2.89Å; S104-M108 VanDerWaalsContact O-N 3.16Å |
| 105 | S | 85 | Confident | 81.1 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.5 | -36.8 | -178.5 | -167.4 | 0 | 0 | 0 | 0 | 113 | Y102 K103 M108 S109 H193 | Y102-S105 WeakPolarHBondContact CE1-OG 2.97Å; Y102-S105 PolarHBondContact O-N 3.5Å; Y102-S105 PolarHBondContact OH-OG 3.34Å; K103-S105 VanDerWaalsContact C-N 3.32Å; K103-S105 PolarHBondContact O-N 3.21Å; S105-M108 PolarHBondContact O-N 3.08Å; S105-S109 VanDerWaalsContact O-CB 3.29Å; S105-S109 WeakPolarHBondContact O-CB 3.4Å; S105-S109 PolarHBondContact O-N 2.99Å; S105-S109 PolarHBondContact O-OG 3.38Å; S105-H193 PolarHBondContact OG-CE1 3.23Å |
| 106 | L | 88.8 | Confident | 81.6 | Confident | 48 Ų | 48 | 57.8 Ų | 57.8 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -50.8 | 179.4 | -70.8 | 178.3 | 0 | 0 | 0 | 111.8 | V92 H95 S104 M108 S109 A110 | V92-L106 HydrophobicContact CB-CD2 4.39Å; V92-L106 HydrophobicContact CG2-CD2 3.61Å; H95-L106 HydrophobicContact CB-CD1 3.99Å; S104-L106 PolarHBondContact O-N 3.35Å; L106-M108 PolarHBondContact O-N 2.91Å; L106-S109 PolarHBondContact O-N 3.45Å; L106-S109 PolarHBondContact O-OG 3.29Å; L106-A110 PolarHBondContact O-N 3.37Å |
| 107 | W | 90 | Very high | 82.1 | Confident | 137 Ų | 137 | 54.5 Ų | 54.5 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.5 | -34.3 | 179.9 | 69.9 | -105.7 | 0 | 0 | 0 | 112.3 | K103 S104 A110 A111 L145 | K103-W107 VanDerWaalsContact O-CD1 3.3Å; S104-W107 VanDerWaalsContact CA-CD1 3.49Å; S104-W107 VanDerWaalsContact O-CD1 3.27Å; S104-W107 PolarHBondContact O-NE1 3.4Å; W107-A110 PolarHBondContact O-N 3Å; W107-A111 PolarHBondContact O-N 3.38Å; W107-L145 HydrophobicContact CH2-CD2 3.66Å; W107-L145 HydrophobicContact CZ3-CD1 4.34Å; W107-L145 HydrophobicContact CZ3-CD2 3.64Å |
| 108 | M | 90.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -42.7 | 174.1 | -74.6 | -171.4 | -83.4 | 0 | 0 | 111.8 | S104 S105 L106 A110 A111 F112 L145 F148 L149 I152 | S104-M108 VanDerWaalsContact C-CE 3.43Å; S104-M108 WeakPolarHBondContact O-CB 3.37Å; S104-M108 WeakPolarHBondContact O-CE 3.46Å; S104-M108 WeakPolarHBondContact O-CG 3.39Å; S104-M108 PolarHBondContact O-N 2.89Å; S104-M108 VanDerWaalsContact O-N 3.16Å; S105-M108 PolarHBondContact O-N 3.08Å; L106-M108 PolarHBondContact O-N 2.91Å; M108-A110 VanDerWaalsContact C-N 3.34Å; M108-A110 PolarHBondContact O-N 3.46Å; M108-A111 WeakPolarHBondContact O-CB 3.45Å; M108-A111 PolarHBondContact O-N 3.04Å; M108-A111 VanDerWaalsContact O-N 3.17Å; M108-F112 WeakPolarHBondContact O-CG 3.43Å; M108-F112 PolarHBondContact O-N 3.31Å; M108-L145 HydrophobicContact CG-CD2 4.28Å; M108-L145 HydrophobicContact SD-CD2 4.45Å; M108-F148 HydrophobicContact CE-CD1 4.3Å; M108-F148 HydrophobicContact SD-CD1 3.85Å; M108-L149 HydrophobicContact CE-CB 4.1Å; M108-L149 HydrophobicContact CE-CD1 3.45Å; M108-L149 VanDerWaalsContact CE-CD1 3.45Å; M108-L149 HydrophobicContact CE-CG 4.36Å; M108-L149 HydrophobicContact SD-CB 3.85Å; M108-L149 HydrophobicContact SD-CD1 4.23Å; M108-I152 HydrophobicContact CE-CD1 4.22Å |
| 109 | S | 91.6 | Very high | 84 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.9 | -39 | 176.3 | 73.3 | 0 | 0 | 0 | 0 | 112 | C88 S105 L106 A111 F112 I113 | C88-S109 PolarHBondContact SG-OG 3.24Å; C88-S109 VanDerWaalsContact SG-OG 3.39Å; S105-S109 VanDerWaalsContact O-CB 3.29Å; S105-S109 WeakPolarHBondContact O-CB 3.4Å; S105-S109 PolarHBondContact O-N 2.99Å; S105-S109 PolarHBondContact O-OG 3.38Å; L106-S109 PolarHBondContact O-N 3.45Å; L106-S109 PolarHBondContact O-OG 3.29Å; S109-A111 VanDerWaalsContact C-N 3.32Å; S109-A111 PolarHBondContact O-N 3.35Å; S109-F112 WeakPolarHBondContact O-CB 3.48Å; S109-F112 PolarHBondContact O-N 2.88Å; S109-I113 WeakPolarHBondContact O-CG1 3.46Å; S109-I113 PolarHBondContact O-N 3.46Å |
| 110 | A | 92.5 | Very high | 85.7 | Confident | 45 Ų | 45 | 45.6 Ų | 45.6 | 37% | 0.372 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L106 W107 M108 F112 I113 L114 | L106-A110 PolarHBondContact O-N 3.37Å; W107-A110 PolarHBondContact O-N 3Å; M108-A110 VanDerWaalsContact C-N 3.34Å; M108-A110 PolarHBondContact O-N 3.46Å; A110-F112 VanDerWaalsContact C-N 3.34Å; A110-F112 PolarHBondContact O-N 3.45Å; A110-I113 PolarHBondContact O-N 3.25Å; A110-L114 WeakPolarHBondContact O-CG 3.38Å; A110-L114 PolarHBondContact O-N 3.02Å |
| 111 | A | 94.2 | Very high | 87.4 | Confident | 32 Ų | 32 | 42.6 Ų | 42.6 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W107 M108 S109 L114 N115 L145 | W107-A111 PolarHBondContact O-N 3.38Å; M108-A111 WeakPolarHBondContact O-CB 3.45Å; M108-A111 PolarHBondContact O-N 3.04Å; M108-A111 VanDerWaalsContact O-N 3.17Å; S109-A111 VanDerWaalsContact C-N 3.32Å; S109-A111 PolarHBondContact O-N 3.35Å; A111-L114 PolarHBondContact O-N 3.46Å; A111-N115 WeakPolarHBondContact O-CB 3.42Å; A111-N115 PolarHBondContact O-N 3.06Å; A111-L145 HydrophobicContact CB-CD1 3.92Å |
| 112 | F | 94.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 175.1 | -61.1 | -24.7 | 0 | 0 | 0 | 112.9 | A84 I87 M108 S109 A110 N115 S116 S142 L145 L149 H200 | A84-F112 HydrophobicContact CB-CB 3.58Å; I87-F112 HydrophobicContact CD1-CD2 4.3Å; I87-F112 HydrophobicContact CD1-CE2 4.39Å; M108-F112 WeakPolarHBondContact O-CG 3.43Å; M108-F112 PolarHBondContact O-N 3.31Å; S109-F112 WeakPolarHBondContact O-CB 3.48Å; S109-F112 PolarHBondContact O-N 2.88Å; A110-F112 VanDerWaalsContact C-N 3.34Å; A110-F112 PolarHBondContact O-N 3.45Å; F112-N115 PolarHBondContact O-N 3.24Å; F112-S116 WeakPolarHBondContact O-CB 3.4Å; F112-S116 PolarHBondContact O-N 2.86Å; F112-S116 PolarHBondContact O-OG 2.91Å; F112-S142 WeakPolarHBondContact CD1-OG 3.29Å; F112-S142 WeakPolarHBondContact CE1-O 3.46Å; F112-L145 HydrophobicContact CE1-CB 3.66Å; F112-L145 HydrophobicContact CZ-CB 4.02Å; F112-L149 HydrophobicContact CE2-CD2 3.9Å; F112-H200 AromaticContact CD1-CE1 3.59Å; F112-H200 AromaticContact CD2-CE1 4Å; F112-H200 AromaticContact CG-CE1 3.54Å; F112-H200 AromaticContact CG-NE2 3.9Å |
| 113 | I | 95.4 | Very high | 89.5 | Confident | 46 Ų | 46 | 40.4 Ų | 40.4 | 24% | 0.236 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -47.4 | 174.6 | -67.4 | 168.8 | 0 | 0 | 0 | 109.7 | L81 A84 V85 C88 S109 A110 N115 S116 M117 | L81-I113 HydrophobicContact CD1-CG2 4.08Å; A84-I113 HydrophobicContact CB-CG1 3.86Å; V85-I113 HydrophobicContact CG2-CD1 4.48Å; C88-I113 HydrophobicContact CB-CD1 4.06Å; S109-I113 WeakPolarHBondContact O-CG1 3.46Å; S109-I113 PolarHBondContact O-N 3.46Å; A110-I113 PolarHBondContact O-N 3.25Å; I113-N115 VanDerWaalsContact C-N 3.34Å; I113-N115 PolarHBondContact O-N 3.38Å; I113-S116 PolarHBondContact O-N 3.19Å; I113-M117 HydrophobicContact CG2-CG 4.27Å; I113-M117 WeakPolarHBondContact O-CB 3.33Å; I113-M117 VanDerWaalsContact O-CG 3.26Å; I113-M117 WeakPolarHBondContact O-CG 3.46Å; I113-M117 PolarHBondContact O-N 3Å |
| 114 | L | 95 | Very high | 90 | Very high | 124 Ų | 124 | 40.8 Ų | 40.8 | 65% | 0.649 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60.5 | -41.9 | 177.5 | -72 | 172 | 0 | 0 | 0 | 112.1 | A110 A111 M117 L118 | A110-L114 WeakPolarHBondContact O-CG 3.38Å; A110-L114 PolarHBondContact O-N 3.02Å; A111-L114 PolarHBondContact O-N 3.46Å; L114-M117 PolarHBondContact O-N 3.15Å; L114-L118 WeakPolarHBondContact O-CB 3.42Å; L114-L118 PolarHBondContact O-N 3.21Å |
| 115 | N | 93.4 | Very high | 89.7 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.032 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 175.2 | -174.3 | 67.8 | 0 | 0 | 0 | 111.6 | A111 F112 I113 M117 L118 G119 T138 N139 | A111-N115 WeakPolarHBondContact O-CB 3.42Å; A111-N115 PolarHBondContact O-N 3.06Å; F112-N115 PolarHBondContact O-N 3.24Å; I113-N115 VanDerWaalsContact C-N 3.34Å; I113-N115 PolarHBondContact O-N 3.38Å; N115-M117 PolarHBondContact O-N 2.87Å; N115-L118 WeakPolarHBondContact O-CB 3.46Å; N115-L118 PolarHBondContact O-N 3.35Å; N115-G119 PolarHBondContact O-N 3.46Å; N115-T138 VanDerWaalsContact OD1-CB 3.28Å; N115-T138 WeakPolarHBondContact OD1-CB 3.31Å; N115-T138 PolarHBondContact OD1-O 3.09Å; N115-T138 PolarHBondContact OD1-OG1 3.22Å; N115-N139 PolarHBondContact ND2-OD1 3.32Å; N115-N139 PolarHBondContact OD1-N 2.87Å |
| 116 | S | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 179.3 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | Q80 L81 F112 I113 L118 G119 I120 | Q80-S116 WeakPolarHBondContact CB-OG 3.35Å; L81-S116 PolarHBondContact N-OG 2.8Å; F112-S116 WeakPolarHBondContact O-CB 3.4Å; F112-S116 PolarHBondContact O-N 2.86Å; F112-S116 PolarHBondContact O-OG 2.91Å; I113-S116 PolarHBondContact O-N 3.19Å; S116-L118 VanDerWaalsContact C-N 3.34Å; S116-L118 PolarHBondContact O-N 2.8Å; S116-G119 PolarHBondContact O-N 2.95Å; S116-I120 WeakPolarHBondContact O-CG1 3.32Å; S116-I120 PolarHBondContact O-N 3.37Å |
| 117 | M | 93.4 | Very high | 87.9 | Confident | 96 Ų | 96 | 51.3 Ų | 51.3 | 47% | 0.473 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 174.9 | -71.1 | -58.4 | -65.2 | 0 | 0 | 111.9 | L81 I113 L114 N115 G119 I120 A121 | L81-M117 HydrophobicContact CD1-CG 4.48Å; L81-M117 HydrophobicContact CD1-SD 4.29Å; L81-M117 HydrophobicContact CD2-SD 4.22Å; I113-M117 HydrophobicContact CG2-CG 4.27Å; I113-M117 WeakPolarHBondContact O-CB 3.33Å; I113-M117 VanDerWaalsContact O-CG 3.26Å; I113-M117 WeakPolarHBondContact O-CG 3.46Å; I113-M117 PolarHBondContact O-N 3Å; L114-M117 PolarHBondContact O-N 3.15Å; N115-M117 PolarHBondContact O-N 2.87Å; M117-G119 VanDerWaalsContact C-N 3.32Å; M117-G119 PolarHBondContact O-N 2.97Å; M117-I120 PolarHBondContact O-N 2.97Å; M117-I120 HydrophobicContact SD-CD1 4.44Å; M117-A121 VanDerWaalsContact O-CB 3.26Å; M117-A121 WeakPolarHBondContact O-CB 3.47Å; M117-A121 PolarHBondContact O-N 3.24Å |
| 118 | L | 91.7 | Very high | 87.2 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 20% | 0.204 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 174.1 | -175.6 | 64.6 | 0 | 0 | 0 | 111.5 | L114 N115 S116 A121 L122 L131 I134 Y135 T138 | L114-L118 WeakPolarHBondContact O-CB 3.42Å; L114-L118 PolarHBondContact O-N 3.21Å; N115-L118 WeakPolarHBondContact O-CB 3.46Å; N115-L118 PolarHBondContact O-N 3.35Å; S116-L118 VanDerWaalsContact C-N 3.34Å; S116-L118 PolarHBondContact O-N 2.8Å; L118-A121 PolarHBondContact O-N 3.34Å; L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 PolarHBondContact O-N 3.05Å; L118-L131 HydrophobicContact CD1-CD1 3.77Å; L118-I134 HydrophobicContact CD2-CG2 3.94Å; L118-Y135 HydrophobicContact CB-CD2 4.37Å; L118-Y135 HydrophobicContact CD2-CD2 4.23Å; L118-Y135 HydrophobicContact CG-CD2 4.14Å; L118-T138 HydrophobicContact CD2-CG2 4.02Å; L118-T138 WeakPolarHBondContact CD2-OG1 3.47Å |
| 119 | G | 88.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N115 S116 M117 L122 V123 | N115-G119 PolarHBondContact O-N 3.46Å; S116-G119 PolarHBondContact O-N 2.95Å; M117-G119 VanDerWaalsContact C-N 3.32Å; M117-G119 PolarHBondContact O-N 2.97Å; G119-L122 PolarHBondContact O-N 2.76Å; G119-V123 PolarHBondContact O-N 3.27Å |
| 120 | I | 90.3 | Very high | 85.7 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 15% | 0.154 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 174.7 | -64 | 168.9 | 0 | 0 | 0 | 110.7 | L74 A77 L81 S116 M117 L122 V123 K124 | L74-I120 HydrophobicContact CD1-CG1 4.48Å; L74-I120 HydrophobicContact CD1-CG2 4.38Å; A77-I120 HydrophobicContact CB-CG1 3.94Å; L81-I120 HydrophobicContact CD2-CD1 3.87Å; S116-I120 WeakPolarHBondContact O-CG1 3.32Å; S116-I120 PolarHBondContact O-N 3.37Å; M117-I120 PolarHBondContact O-N 2.97Å; M117-I120 HydrophobicContact SD-CD1 4.44Å; I120-L122 VanDerWaalsContact C-N 3.35Å; I120-L122 PolarHBondContact O-N 3.32Å; I120-V123 PolarHBondContact O-N 3.35Å; I120-K124 HydrophobicContact CG2-CD 4.35Å; I120-K124 PolarHBondContact O-N 2.86Å; I120-K124 VanDerWaalsContact O-N 3.08Å |
| 121 | A | 88.1 | Confident | 85.3 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M117 L118 V123 K124 L125 | M117-A121 VanDerWaalsContact O-CB 3.26Å; M117-A121 WeakPolarHBondContact O-CB 3.47Å; M117-A121 PolarHBondContact O-N 3.24Å; L118-A121 PolarHBondContact O-N 3.34Å; A121-V123 VanDerWaalsContact C-N 3.27Å; A121-V123 PolarHBondContact O-N 3.5Å; A121-K124 PolarHBondContact O-N 3.4Å; A121-L125 HydrophobicContact CB-CD1 3.89Å; A121-L125 WeakPolarHBondContact O-CA 3.33Å; A121-L125 WeakPolarHBondContact O-CB 3.36Å; A121-L125 PolarHBondContact O-N 3.34Å |
| 122 | L | 86.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.1 | -37.8 | 176.1 | 176.7 | 69.7 | 0 | 0 | 0 | 112.8 | L118 G119 I120 P127 L131 L132 Y135 | L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 PolarHBondContact O-N 3.05Å; G119-L122 PolarHBondContact O-N 2.76Å; I120-L122 VanDerWaalsContact C-N 3.35Å; I120-L122 PolarHBondContact O-N 3.32Å; L122-P127 HydrophobicContact CD1-CB 4.45Å; L122-L131 HydrophobicContact CB-CD2 4.16Å; L122-L131 HydrophobicContact CB-CG 4.44Å; L122-L131 HydrophobicContact CD1-CB 3.87Å; L122-L131 HydrophobicContact CD1-CD2 3.75Å; L122-L131 HydrophobicContact CD1-CG 3.73Å; L122-L132 HydrophobicContact CD1-CB 4.38Å; L122-L132 HydrophobicContact CD2-CD1 3.83Å; L122-Y135 HydrophobicContact CD2-CD1 3.6Å; L122-Y135 HydrophobicContact CD2-CE1 4.29Å; L122-Y135 HydrophobicContact CD2-CG 4.03Å |
| 123 | V | 84.1 | Confident | 84.3 | Confident | 37 Ų | 37 | 65.8 Ų | 65.8 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -76.2 | -35.9 | 178.7 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | L67 P70 V73 L74 G119 I120 A121 | L67-V123 HydrophobicContact CD2-CG2 4.32Å; P70-V123 HydrophobicContact CB-CG1 4.26Å; V73-V123 HydrophobicContact CB-CG2 4.19Å; V73-V123 HydrophobicContact CG1-CG2 3.78Å; L74-V123 HydrophobicContact CB-CG1 4.33Å; L74-V123 HydrophobicContact CD1-CB 4.38Å; L74-V123 HydrophobicContact CD1-CG1 4.32Å; G119-V123 PolarHBondContact O-N 3.27Å; I120-V123 PolarHBondContact O-N 3.35Å; A121-V123 VanDerWaalsContact C-N 3.27Å; A121-V123 PolarHBondContact O-N 3.5Å |
| 124 | K | 84.5 | Confident | 84.1 | Confident | 166 Ų | 166 | 67.1 Ų | 67.1 | 72% | 0.722 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -87 | -41.5 | -176.2 | -75.9 | -168.9 | 170.9 | 179.9 | 0 | 114.5 | I120 A121 | I120-K124 HydrophobicContact CG2-CD 4.35Å; I120-K124 PolarHBondContact O-N 2.86Å; I120-K124 VanDerWaalsContact O-N 3.08Å; A121-K124 PolarHBondContact O-N 3.4Å |
| 125 | L | 73.7 | Confident | 83.8 | Confident | 116 Ų | 116 | 61.2 Ų | 61.2 | 61% | 0.607 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -99 | 102.6 | -178.1 | -68.5 | 136.9 | 0 | 0 | 0 | 107.2 | A121 | A121-L125 HydrophobicContact CB-CD1 3.89Å; A121-L125 WeakPolarHBondContact O-CA 3.33Å; A121-L125 WeakPolarHBondContact O-CB 3.36Å; A121-L125 PolarHBondContact O-N 3.34Å |
| 126 | Y | 66.3 | Low | 83.6 | Confident | 146 Ų | 146 | 61.8 Ų | 61.8 | 57% | 0.573 | 30% | 0.301 | S | S | * | . | trans | 5.7 | 110.6 | 174.6 | -65.1 | -80.9 | 0 | 0 | 0 | 115.3 | R20 K128 | R20-Y126 PolarHBondContact NH1-OH 3.2Å; Y126-K128 VanDerWaalsContact C-N 3.34Å; Y126-K128 PolarHBondContact O-N 2.83Å | ||
| 127 | P | 68.6 | Low | 83.6 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | trans | -65.9 | 89.4 | -172.9 | 27.8 | -36.4 | 0 | 0 | 0 | 111.5 | T64 I65 L67 L122 | T64-P127 WeakPolarHBondContact CA-O 3.41Å; I65-P127 PolarHBondContact N-O 2.74Å; I65-P127 WeakPolarHBondContact O-CB 2.86Å; I65-P127 WeakPolarHBondContact O-CG 3.41Å; L67-P127 HydrophobicContact CD1-CB 3.68Å; L67-P127 HydrophobicContact CD1-CG 4.33Å; L122-P127 HydrophobicContact CD1-CB 4.45Å | ||
| 128 | K | 75.9 | Confident | 83.5 | Confident | 134 Ų | 134 | 62.8 Ų | 62.8 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | B | Isolated β-bridge | trans | -75.2 | 140.8 | 170.4 | -68.9 | -173.9 | 177.6 | -176.9 | 0 | 109.1 | Y126 L130 L131 L132 | Y126-K128 VanDerWaalsContact C-N 3.34Å; Y126-K128 PolarHBondContact O-N 2.83Å; K128-L130 PolarHBondContact O-N 2.91Å; K128-L131 HydrophobicContact CB-CB 4.27Å; K128-L131 WeakPolarHBondContact O-CB 3.41Å; K128-L131 PolarHBondContact O-N 3.47Å; K128-L132 PolarHBondContact O-N 3.03Å; K128-L132 VanDerWaalsContact O-N 3.13Å |
| 129 | R | 72 | Confident | 83.5 | Confident | 148 Ų | 148 | 61 Ų | 61 | 56% | 0.558 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -54 | -40.9 | 176.2 | -177.4 | 168.2 | -175.9 | -169.3 | 2.1 | 112.7 | I65 L131 L132 V133 | I65-R129 HydrophobicContact CD1-CB 3.79Å; I65-R129 HydrophobicContact CD1-CG 3.88Å; I65-R129 HydrophobicContact CG1-CB 4.31Å; R129-L131 VanDerWaalsContact C-N 3.32Å; R129-L131 PolarHBondContact O-N 3.27Å; R129-L132 PolarHBondContact O-N 3.22Å; R129-V133 WeakPolarHBondContact O-CG2 3.33Å; R129-V133 PolarHBondContact O-N 3.43Å; R129-V133 VanDerWaalsContact O-N 3.1Å |
| 130 | L | 78.9 | Confident | 83.7 | Confident | 127 Ų | 127 | 65.7 Ų | 65.7 | 67% | 0.665 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.1 | -41.2 | 176.4 | -174 | 67.2 | 0 | 0 | 0 | 112 | K128 L132 V133 I134 | K128-L130 PolarHBondContact O-N 2.91Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 3.03Å; L130-V133 PolarHBondContact O-N 3.13Å; L130-I134 HydrophobicContact CD2-CD1 4.47Å; L130-I134 HydrophobicContact CG-CD1 3.94Å; L130-I134 VanDerWaalsContact O-CG1 3.25Å; L130-I134 WeakPolarHBondContact O-CG1 3.15Å; L130-I134 PolarHBondContact O-N 3.31Å |
| 131 | L | 83.9 | Confident | 83.9 | Confident | 41 Ų | 41 | 69 Ų | 69 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.3 | -37.4 | -179.5 | -166.3 | 66.8 | 0 | 0 | 0 | 111.3 | L118 L122 K128 R129 I134 Y135 | L118-L131 HydrophobicContact CD1-CD1 3.77Å; L122-L131 HydrophobicContact CB-CD2 4.16Å; L122-L131 HydrophobicContact CB-CG 4.44Å; L122-L131 HydrophobicContact CD1-CB 3.87Å; L122-L131 HydrophobicContact CD1-CD2 3.75Å; L122-L131 HydrophobicContact CD1-CG 3.73Å; K128-L131 HydrophobicContact CB-CB 4.27Å; K128-L131 WeakPolarHBondContact O-CB 3.41Å; K128-L131 PolarHBondContact O-N 3.47Å; R129-L131 VanDerWaalsContact C-N 3.32Å; R129-L131 PolarHBondContact O-N 3.27Å; L131-I134 PolarHBondContact O-N 3.46Å; L131-Y135 VanDerWaalsContact O-CB 3.31Å; L131-Y135 WeakPolarHBondContact O-CB 3.49Å; L131-Y135 PolarHBondContact O-N 2.94Å |
| 132 | L | 83.3 | Confident | 84.2 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 173.9 | -175.2 | 69.2 | 0 | 0 | 0 | 111.7 | I65 L122 K128 R129 L130 Y135 A136 N214 L215 | I65-L132 HydrophobicContact CD1-CD2 3.66Å; L122-L132 HydrophobicContact CD1-CB 4.38Å; L122-L132 HydrophobicContact CD2-CD1 3.83Å; K128-L132 PolarHBondContact O-N 3.03Å; K128-L132 VanDerWaalsContact O-N 3.13Å; R129-L132 PolarHBondContact O-N 3.22Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 3.03Å; L132-Y135 PolarHBondContact O-N 2.96Å; L132-A136 WeakPolarHBondContact O-CB 3.31Å; L132-A136 PolarHBondContact O-N 2.97Å; L132-N214 HydrophobicContact CD2-CB 4.33Å; L132-L215 HydrophobicContact CD2-CD2 3.55Å; L132-L215 HydrophobicContact CD2-CG 3.9Å; L132-L215 HydrophobicContact CG-CD2 4.06Å; L132-L215 HydrophobicContact CG-CG 4.33Å |
| 133 | V | 85.1 | Confident | 84.6 | Confident | 64 Ų | 64 | 70 Ų | 70 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 176.6 | 174.3 | 0 | 0 | 0 | 0 | 111 | R129 L130 Y135 A136 C137 L215 | R129-V133 WeakPolarHBondContact O-CG2 3.33Å; R129-V133 PolarHBondContact O-N 3.43Å; R129-V133 VanDerWaalsContact O-N 3.1Å; L130-V133 PolarHBondContact O-N 3.13Å; V133-Y135 VanDerWaalsContact C-N 3.29Å; V133-Y135 PolarHBondContact O-N 3.5Å; V133-A136 PolarHBondContact O-N 3.04Å; V133-C137 PolarHBondContact O-N 3.23Å; V133-C137 PolarHBondContact O-SG 3.41Å; V133-C137 VanDerWaalsContact O-SG 3.36Å; V133-L215 HydrophobicContact CG2-CD2 4.42Å |
| 134 | I | 89.7 | Confident | 85.1 | Confident | 75 Ų | 75 | 73.7 Ų | 73.7 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 175.5 | -65 | 165.5 | 0 | 0 | 0 | 110.1 | L118 L130 L131 C137 T138 | L118-I134 HydrophobicContact CD2-CG2 3.94Å; L130-I134 HydrophobicContact CD2-CD1 4.47Å; L130-I134 HydrophobicContact CG-CD1 3.94Å; L130-I134 VanDerWaalsContact O-CG1 3.25Å; L130-I134 WeakPolarHBondContact O-CG1 3.15Å; L130-I134 PolarHBondContact O-N 3.31Å; L131-I134 PolarHBondContact O-N 3.46Å; I134-C137 PolarHBondContact O-N 3.1Å; I134-T138 HydrophobicContact CG2-CG2 4.32Å; I134-T138 WeakPolarHBondContact O-CB 3.33Å; I134-T138 WeakPolarHBondContact O-CG2 3.46Å; I134-T138 PolarHBondContact O-N 3.33Å; I134-T138 PolarHBondContact O-OG1 2.88Å |
| 135 | Y | 89.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 177 | -176 | -121.1 | 0 | 0 | 0 | 112.5 | L118 L122 L131 L132 V133 T138 N139 C211 | L118-Y135 HydrophobicContact CB-CD2 4.37Å; L118-Y135 HydrophobicContact CD2-CD2 4.23Å; L118-Y135 HydrophobicContact CG-CD2 4.14Å; L122-Y135 HydrophobicContact CD2-CD1 3.6Å; L122-Y135 HydrophobicContact CD2-CE1 4.29Å; L122-Y135 HydrophobicContact CD2-CG 4.03Å; L131-Y135 VanDerWaalsContact O-CB 3.31Å; L131-Y135 WeakPolarHBondContact O-CB 3.49Å; L131-Y135 PolarHBondContact O-N 2.94Å; L132-Y135 PolarHBondContact O-N 2.96Å; V133-Y135 VanDerWaalsContact C-N 3.29Å; V133-Y135 PolarHBondContact O-N 3.5Å; Y135-T138 WeakPolarHBondContact CA-OG1 3.24Å; Y135-T138 PolarHBondContact O-OG1 3.2Å; Y135-N139 WeakPolarHBondContact CD1-ND2 3.26Å; Y135-N139 WeakPolarHBondContact CE1-ND2 3.43Å; Y135-N139 VanDerWaalsContact CE2-ND2 3.33Å; Y135-N139 WeakPolarHBondContact CE2-ND2 3.26Å; Y135-N139 WeakPolarHBondContact O-CB 3.25Å; Y135-N139 PolarHBondContact O-N 3.28Å; Y135-N139 PolarHBondContact O-ND2 3.49Å; Y135-C211 WeakPolarHBondContact CD1-SG 3.22Å; Y135-C211 WeakPolarHBondContact CE1-SG 3.45Å |
| 136 | A | 88.9 | Confident | 86.4 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L132 V133 T138 N139 L140 L215 | L132-A136 WeakPolarHBondContact O-CB 3.31Å; L132-A136 PolarHBondContact O-N 2.97Å; V133-A136 PolarHBondContact O-N 3.04Å; A136-T138 PolarHBondContact O-N 3.5Å; A136-N139 PolarHBondContact O-N 3.1Å; A136-L140 WeakPolarHBondContact O-CG 3.42Å; A136-L140 PolarHBondContact O-N 3.44Å; A136-L215 HydrophobicContact CB-CD1 4.17Å |
| 137 | C | 91.7 | Very high | 87.7 | Confident | 76 Ų | 76 | 58.2 Ų | 58.2 | 51% | 0.514 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 177.2 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | V133 I134 L140 L141 | V133-C137 PolarHBondContact O-N 3.23Å; V133-C137 PolarHBondContact O-SG 3.41Å; V133-C137 VanDerWaalsContact O-SG 3.36Å; I134-C137 PolarHBondContact O-N 3.1Å; C137-L140 PolarHBondContact O-N 2.86Å; C137-L141 PolarHBondContact O-N 3.26Å |
| 138 | T | 93.2 | Very high | 88.8 | Confident | 41 Ų | 41 | 62 Ų | 62 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.3 | -34.7 | 178.2 | 47 | 0 | 0 | 0 | 0 | 112.2 | N115 L118 I134 Y135 A136 L141 S142 | N115-T138 VanDerWaalsContact OD1-CB 3.28Å; N115-T138 WeakPolarHBondContact OD1-CB 3.31Å; N115-T138 PolarHBondContact OD1-O 3.09Å; N115-T138 PolarHBondContact OD1-OG1 3.22Å; L118-T138 HydrophobicContact CD2-CG2 4.02Å; L118-T138 WeakPolarHBondContact CD2-OG1 3.47Å; I134-T138 HydrophobicContact CG2-CG2 4.32Å; I134-T138 WeakPolarHBondContact O-CB 3.33Å; I134-T138 WeakPolarHBondContact O-CG2 3.46Å; I134-T138 PolarHBondContact O-N 3.33Å; I134-T138 PolarHBondContact O-OG1 2.88Å; Y135-T138 WeakPolarHBondContact CA-OG1 3.24Å; Y135-T138 PolarHBondContact O-OG1 3.2Å; A136-T138 PolarHBondContact O-N 3.5Å; T138-L141 PolarHBondContact O-N 3.43Å; T138-S142 VanDerWaalsContact O-CB 3.3Å; T138-S142 WeakPolarHBondContact O-CB 3.46Å; T138-S142 PolarHBondContact O-N 2.94Å |
| 139 | N | 91.7 | Very high | 89.5 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.011 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 171.3 | -82.4 | -51 | 0 | 0 | 0 | 112.7 | N115 Y135 A136 L141 S142 L143 | N115-N139 PolarHBondContact ND2-OD1 3.32Å; N115-N139 PolarHBondContact OD1-N 2.87Å; Y135-N139 WeakPolarHBondContact CD1-ND2 3.26Å; Y135-N139 WeakPolarHBondContact CE1-ND2 3.43Å; Y135-N139 VanDerWaalsContact CE2-ND2 3.33Å; Y135-N139 WeakPolarHBondContact CE2-ND2 3.26Å; Y135-N139 WeakPolarHBondContact O-CB 3.25Å; Y135-N139 PolarHBondContact O-N 3.28Å; Y135-N139 PolarHBondContact O-ND2 3.49Å; A136-N139 PolarHBondContact O-N 3.1Å; N139-L141 VanDerWaalsContact C-N 3.35Å; N139-S142 WeakPolarHBondContact O-CB 3.37Å; N139-S142 PolarHBondContact O-N 3.35Å; N139-L143 WeakPolarHBondContact O-CB 3.23Å; N139-L143 PolarHBondContact O-N 2.9Å |
| 140 | L | 93 | Very high | 90.5 | Very high | 98 Ų | 98 | 52.4 Ų | 52.4 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 175.3 | -70.3 | 173.9 | 0 | 0 | 0 | 111.1 | A136 C137 S142 L143 L144 | A136-L140 WeakPolarHBondContact O-CG 3.42Å; A136-L140 PolarHBondContact O-N 3.44Å; C137-L140 PolarHBondContact O-N 2.86Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 2.93Å; L140-L143 PolarHBondContact O-N 3.46Å; L140-L144 WeakPolarHBondContact O-CG 3.26Å; L140-L144 PolarHBondContact O-N 3.2Å |
| 141 | L | 94.1 | Very high | 91.1 | Very high | 100 Ų | 100 | 49.4 Ų | 49.4 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.2 | -178.4 | 61.8 | 0 | 0 | 0 | 111.5 | C137 T138 N139 L143 L144 L145 | C137-L141 PolarHBondContact O-N 3.26Å; T138-L141 PolarHBondContact O-N 3.43Å; N139-L141 VanDerWaalsContact C-N 3.35Å; L141-L143 VanDerWaalsContact C-N 3.29Å; L141-L143 PolarHBondContact O-N 2.91Å; L141-L144 PolarHBondContact O-N 3.42Å; L141-L145 HydrophobicContact CD1-CG 4.48Å; L141-L145 HydrophobicContact CG-CD1 4.27Å; L141-L145 WeakPolarHBondContact O-CB 3.45Å; L141-L145 WeakPolarHBondContact O-CG 3.4Å; L141-L145 PolarHBondContact O-N 2.97Å |
| 142 | S | 94.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 177.1 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | F112 T138 N139 L140 S146 H200 | F112-S142 WeakPolarHBondContact CD1-OG 3.29Å; F112-S142 WeakPolarHBondContact CE1-O 3.46Å; T138-S142 VanDerWaalsContact O-CB 3.3Å; T138-S142 WeakPolarHBondContact O-CB 3.46Å; T138-S142 PolarHBondContact O-N 2.94Å; N139-S142 WeakPolarHBondContact O-CB 3.37Å; N139-S142 PolarHBondContact O-N 3.35Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 2.93Å; S142-S146 WeakPolarHBondContact O-CB 3.43Å; S142-S146 PolarHBondContact O-N 3.5Å; S142-H200 PolarHBondContact OG-CE1 2.76Å |
| 143 | L | 93.7 | Very high | 91.6 | Very high | 47 Ų | 47 | 49 Ų | 49 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66 | -45.9 | 175.2 | -175.6 | 149.2 | 0 | 0 | 0 | 111.1 | N139 L140 L141 L145 S146 V147 I205 | N139-L143 WeakPolarHBondContact O-CB 3.23Å; N139-L143 PolarHBondContact O-N 2.9Å; L140-L143 PolarHBondContact O-N 3.46Å; L141-L143 VanDerWaalsContact C-N 3.29Å; L141-L143 PolarHBondContact O-N 2.91Å; L143-L145 PolarHBondContact O-N 2.82Å; L143-S146 WeakPolarHBondContact O-CB 3.17Å; L143-S146 PolarHBondContact O-N 3.35Å; L143-S146 VanDerWaalsContact O-N 3.16Å; L143-V147 WeakPolarHBondContact O-CG2 3.2Å; L143-V147 PolarHBondContact O-N 3.19Å; L143-I205 HydrophobicContact CD1-CD1 4.32Å; L143-I205 HydrophobicContact CD1-CG1 3.48Å; L143-I205 VanDerWaalsContact CD1-CG1 3.48Å |
| 144 | L | 94.5 | Very high | 91.8 | Very high | 114 Ų | 114 | 47.5 Ų | 47.5 | 60% | 0.597 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.8 | -45.8 | 175.8 | -68.7 | 174.7 | 0 | 0 | 0 | 111.9 | L140 L141 S146 V147 F148 | L140-L144 WeakPolarHBondContact O-CG 3.26Å; L140-L144 PolarHBondContact O-N 3.2Å; L141-L144 PolarHBondContact O-N 3.42Å; L144-S146 VanDerWaalsContact C-N 3.28Å; L144-S146 PolarHBondContact O-N 2.8Å; L144-V147 PolarHBondContact O-N 3.23Å; L144-F148 WeakPolarHBondContact O-CB 3.48Å; L144-F148 PolarHBondContact O-N 3.29Å |
| 145 | L | 93.7 | Very high | 91.8 | Very high | 24 Ų | 24 | 50.5 Ų | 50.5 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -36.2 | 176 | -72 | 178.3 | 0 | 0 | 0 | 112 | W107 M108 A111 F112 L141 L143 F148 L149 | W107-L145 HydrophobicContact CH2-CD2 3.66Å; W107-L145 HydrophobicContact CZ3-CD1 4.34Å; W107-L145 HydrophobicContact CZ3-CD2 3.64Å; M108-L145 HydrophobicContact CG-CD2 4.28Å; M108-L145 HydrophobicContact SD-CD2 4.45Å; A111-L145 HydrophobicContact CB-CD1 3.92Å; F112-L145 HydrophobicContact CE1-CB 3.66Å; F112-L145 HydrophobicContact CZ-CB 4.02Å; L141-L145 HydrophobicContact CD1-CG 4.48Å; L141-L145 HydrophobicContact CG-CD1 4.27Å; L141-L145 WeakPolarHBondContact O-CB 3.45Å; L141-L145 WeakPolarHBondContact O-CG 3.4Å; L141-L145 PolarHBondContact O-N 2.97Å; L143-L145 PolarHBondContact O-N 2.82Å; L145-F148 PolarHBondContact O-N 3.31Å; L145-L149 WeakPolarHBondContact O-CB 3.28Å; L145-L149 PolarHBondContact O-N 2.86Å |
| 146 | S | 92.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 176.5 | -159.1 | 0 | 0 | 0 | 0 | 112.1 | S142 L143 L144 F148 L149 F150 T197 | S142-S146 WeakPolarHBondContact O-CB 3.43Å; S142-S146 PolarHBondContact O-N 3.5Å; L143-S146 WeakPolarHBondContact O-CB 3.17Å; L143-S146 PolarHBondContact O-N 3.35Å; L143-S146 VanDerWaalsContact O-N 3.16Å; L144-S146 VanDerWaalsContact C-N 3.28Å; L144-S146 PolarHBondContact O-N 2.8Å; S146-F148 VanDerWaalsContact C-N 3.33Å; S146-L149 PolarHBondContact O-N 3.47Å; S146-F150 WeakPolarHBondContact O-CB 3.49Å; S146-F150 PolarHBondContact O-N 2.93Å; S146-T197 WeakPolarHBondContact O-CG2 3.25Å; S146-T197 PolarHBondContact OG-O 2.87Å; S146-T197 VanDerWaalsContact OG-O 3.06Å |
| 147 | V | 93.4 | Very high | 91.5 | Very high | 79 Ų | 79 | 52.1 Ų | 52.1 | 48% | 0.479 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | L143 L144 F150 S151 | L143-V147 WeakPolarHBondContact O-CG2 3.2Å; L143-V147 PolarHBondContact O-N 3.19Å; L144-V147 PolarHBondContact O-N 3.23Å; V147-F150 PolarHBondContact O-N 3.46Å; V147-S151 WeakPolarHBondContact O-CB 3.45Å; V147-S151 PolarHBondContact O-N 2.96Å; V147-S151 PolarHBondContact O-OG 3.47Å |
| 148 | F | 92.3 | Very high | 91.3 | Very high | 107 Ų | 107 | 51.4 Ų | 51.4 | 47% | 0.469 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.2 | -46.1 | 176.6 | -173.3 | -110.6 | 0 | 0 | 0 | 111.8 | M108 L144 L145 S146 F150 S151 I152 | M108-F148 HydrophobicContact CE-CD1 4.3Å; M108-F148 HydrophobicContact SD-CD1 3.85Å; L144-F148 WeakPolarHBondContact O-CB 3.48Å; L144-F148 PolarHBondContact O-N 3.29Å; L145-F148 PolarHBondContact O-N 3.31Å; S146-F148 VanDerWaalsContact C-N 3.33Å; F148-F150 VanDerWaalsContact C-N 3.31Å; F148-F150 PolarHBondContact O-N 2.89Å; F148-S151 PolarHBondContact O-N 3.5Å; F148-I152 HydrophobicContact CD1-CD1 3.66Å; F148-I152 HydrophobicContact CE1-CD1 3.22Å; F148-I152 HydrophobicContact CE1-CG1 4.3Å; F148-I152 HydrophobicContact CE2-CD1 4.26Å; F148-I152 HydrophobicContact CG-CD1 4.36Å; F148-I152 HydrophobicContact CZ-CD1 3.57Å; F148-I152 HydrophobicContact CZ-CG1 4.32Å; F148-I152 WeakPolarHBondContact O-CG1 3.44Å; F148-I152 PolarHBondContact O-N 3.25Å |
| 149 | L | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 175.2 | -178.1 | 65.9 | 0 | 0 | 0 | 111.6 | I87 M108 F112 L145 S146 I152 T153 T197 | I87-L149 HydrophobicContact CG2-CD2 3.86Å; M108-L149 HydrophobicContact CE-CB 4.1Å; M108-L149 HydrophobicContact CE-CD1 3.45Å; M108-L149 VanDerWaalsContact CE-CD1 3.45Å; M108-L149 HydrophobicContact CE-CG 4.36Å; M108-L149 HydrophobicContact SD-CB 3.85Å; M108-L149 HydrophobicContact SD-CD1 4.23Å; F112-L149 HydrophobicContact CE2-CD2 3.9Å; L145-L149 WeakPolarHBondContact O-CB 3.28Å; L145-L149 PolarHBondContact O-N 2.86Å; S146-L149 PolarHBondContact O-N 3.47Å; L149-I152 PolarHBondContact O-N 3.46Å; L149-T153 WeakPolarHBondContact O-CB 3.39Å; L149-T153 PolarHBondContact O-N 3.02Å; L149-T153 PolarHBondContact O-OG1 2.87Å; L149-T197 HydrophobicContact CB-CG2 4.14Å; L149-T197 HydrophobicContact CD2-CG2 4.06Å; L149-T197 HydrophobicContact CG-CG2 4.19Å |
| 150 | F | 92.5 | Very high | 90.4 | Very high | 82 Ų | 82 | 53.6 Ų | 53.6 | 36% | 0.36 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 175.5 | -179.1 | -99 | 0 | 0 | 0 | 111.2 | S146 V147 F148 I152 T153 A154 M194 T197 | S146-F150 WeakPolarHBondContact O-CB 3.49Å; S146-F150 PolarHBondContact O-N 2.93Å; V147-F150 PolarHBondContact O-N 3.46Å; F148-F150 VanDerWaalsContact C-N 3.31Å; F148-F150 PolarHBondContact O-N 2.89Å; F150-I152 PolarHBondContact O-N 2.81Å; F150-T153 PolarHBondContact O-N 3.3Å; F150-A154 WeakPolarHBondContact O-CB 3.44Å; F150-A154 PolarHBondContact O-N 3.39Å; F150-M194 HydrophobicContact CD2-SD 3.87Å; F150-M194 HydrophobicContact CE2-CE 4.32Å; F150-M194 HydrophobicContact CE2-SD 3.59Å; F150-M194 VanDerWaalsContact CE2-SD 3.59Å; F150-M194 HydrophobicContact CZ-CE 4.39Å; F150-M194 HydrophobicContact CZ-SD 4.2Å; F150-T197 HydrophobicContact CB-CG2 3.9Å |
| 151 | S | 91.4 | Very high | 89.9 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 44% | 0.441 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.3 | -44 | 177.6 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | V147 F148 W155 | V147-S151 WeakPolarHBondContact O-CB 3.45Å; V147-S151 PolarHBondContact O-N 2.96Å; V147-S151 PolarHBondContact O-OG 3.47Å; F148-S151 PolarHBondContact O-N 3.5Å; S151-W155 WeakPolarHBondContact O-CB 3.21Å; S151-W155 PolarHBondContact O-N 3.35Å |
| 152 | I | 89.2 | Confident | 89.4 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 19% | 0.185 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 176.3 | -71.5 | 172.9 | 0 | 0 | 0 | 110.9 | M108 F148 L149 F150 A154 W155 L156 | M108-I152 HydrophobicContact CE-CD1 4.22Å; F148-I152 HydrophobicContact CD1-CD1 3.66Å; F148-I152 HydrophobicContact CE1-CD1 3.22Å; F148-I152 HydrophobicContact CE1-CG1 4.3Å; F148-I152 HydrophobicContact CE2-CD1 4.26Å; F148-I152 HydrophobicContact CG-CD1 4.36Å; F148-I152 HydrophobicContact CZ-CD1 3.57Å; F148-I152 HydrophobicContact CZ-CG1 4.32Å; F148-I152 WeakPolarHBondContact O-CG1 3.44Å; F148-I152 PolarHBondContact O-N 3.25Å; L149-I152 PolarHBondContact O-N 3.46Å; F150-I152 PolarHBondContact O-N 2.81Å; I152-A154 VanDerWaalsContact C-N 3.32Å; I152-A154 PolarHBondContact O-N 3.22Å; I152-W155 PolarHBondContact O-N 2.91Å; I152-L156 HydrophobicContact CG2-CD1 3.87Å; I152-L156 HydrophobicContact CG2-CG 4.38Å; I152-L156 WeakPolarHBondContact O-CG 3.34Å; I152-L156 PolarHBondContact O-N 2.9Å |
| 153 | T | 88 | Confident | 88.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -39.8 | -178.1 | -53.5 | 0 | 0 | 0 | 0 | 110.7 | Y102 L149 F150 L156 L157 H193 M194 | Y102-T153 PolarHBondContact OH-OG1 3.39Å; L149-T153 WeakPolarHBondContact O-CB 3.39Å; L149-T153 PolarHBondContact O-N 3.02Å; L149-T153 PolarHBondContact O-OG1 2.87Å; F150-T153 PolarHBondContact O-N 3.3Å; T153-L156 PolarHBondContact O-N 3.49Å; T153-L157 WeakPolarHBondContact O-CB 3.05Å; T153-L157 PolarHBondContact O-N 3.3Å; T153-H193 HydrophobicContact CG2-CB 3.77Å; T153-M194 HydrophobicContact CG2-CG 3.82Å; T153-M194 HydrophobicContact CG2-SD 4.09Å |
| 154 | A | 89.6 | Confident | 87.8 | Confident | 32 Ų | 32 | 57.3 Ų | 57.3 | 26% | 0.264 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F150 I152 L157 D158 M194 | F150-A154 WeakPolarHBondContact O-CB 3.44Å; F150-A154 PolarHBondContact O-N 3.39Å; I152-A154 VanDerWaalsContact C-N 3.32Å; I152-A154 PolarHBondContact O-N 3.22Å; A154-L157 PolarHBondContact O-N 3.44Å; A154-D158 PolarHBondContact O-N 2.94Å; A154-M194 VanDerWaalsContact CA-CE 3.5Å; A154-M194 HydrophobicContact CB-CE 3.53Å; A154-M194 HydrophobicContact CB-SD 4.03Å |
| 155 | W | 89.3 | Confident | 87 | Confident | 139 Ų | 139 | 60.6 Ų | 60.6 | 53% | 0.527 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 176.9 | 178.1 | 78.3 | 0 | 0 | 0 | 112.4 | S151 I152 D158 Q159 | S151-W155 WeakPolarHBondContact O-CB 3.21Å; S151-W155 PolarHBondContact O-N 3.35Å; I152-W155 PolarHBondContact O-N 2.91Å; W155-D158 PolarHBondContact O-N 3.35Å; W155-Q159 VanDerWaalsContact CH2-NE2 3.28Å; W155-Q159 HydrophobicContact CZ2-CG 4.42Å; W155-Q159 WeakPolarHBondContact O-CG 3.5Å; W155-Q159 PolarHBondContact O-N 3.48Å |
| 156 | L | 86.6 | Confident | 86.2 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.9 | -73.2 | 170.3 | 0 | 0 | 0 | 112 | P101 Y102 I152 T153 Q159 Q160 Y190 | P101-L156 HydrophobicContact CG-CD2 4.16Å; Y102-L156 HydrophobicContact CD2-CD1 3.63Å; Y102-L156 HydrophobicContact CE2-CD1 3.84Å; I152-L156 HydrophobicContact CG2-CD1 3.87Å; I152-L156 HydrophobicContact CG2-CG 4.38Å; I152-L156 WeakPolarHBondContact O-CG 3.34Å; I152-L156 PolarHBondContact O-N 2.9Å; T153-L156 PolarHBondContact O-N 3.49Å; L156-Q159 PolarHBondContact O-N 2.92Å; L156-Q160 WeakPolarHBondContact O-CG 3.38Å; L156-Q160 PolarHBondContact O-N 3.41Å; L156-Y190 HydrophobicContact CB-CE2 4.34Å |
| 157 | L | 85.9 | Confident | 85 | Confident | 41 Ų | 41 | 73.9 Ų | 73.9 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.1 | -172 | 65.7 | 0 | 0 | 0 | 111.6 | T153 A154 Q159 Q160 E161 T191 M194 | T153-L157 WeakPolarHBondContact O-CB 3.05Å; T153-L157 PolarHBondContact O-N 3.3Å; A154-L157 PolarHBondContact O-N 3.44Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 3.43Å; L157-Q160 PolarHBondContact O-N 3.28Å; L157-E161 WeakPolarHBondContact O-CB 3.07Å; L157-E161 PolarHBondContact O-N 3.34Å; L157-T191 HydrophobicContact CD1-CG2 4.47Å; L157-M194 HydrophobicContact CD2-CE 4.2Å; L157-M194 HydrophobicContact CD2-CG 4.47Å |
| 158 | D | 87.9 | Confident | 83.4 | Confident | 62 Ų | 62 | 71.9 Ų | 71.9 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 174.9 | 176.4 | 62.4 | 0 | 0 | 0 | 112.1 | A154 W155 E161 K162 | A154-D158 PolarHBondContact O-N 2.94Å; W155-D158 PolarHBondContact O-N 3.35Å; D158-E161 PolarHBondContact O-N 3.36Å; D158-K162 WeakPolarHBondContact O-CB 3.4Å; D158-K162 VanDerWaalsContact O-CG 3.28Å; D158-K162 WeakPolarHBondContact O-CG 3.48Å; D158-K162 PolarHBondContact O-N 3.25Å; D158-K162 WeakPolarHBondContact OD1-CE 3.34Å; D158-K162 IonicContact OD1-NZ 2.65Å; D158-K162 VanDerWaalsContact OD2-CE 3.27Å; D158-K162 WeakPolarHBondContact OD2-CE 3.34Å; D158-K162 IonicContact OD2-NZ 2.89Å; D158-K162 PolarHBondContact OD2-NZ 3.25Å |
| 159 | Q | 85.2 | Confident | 81.9 | Confident | 70 Ų | 70 | 77.4 Ų | 77.4 | 33% | 0.327 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 173.4 | -73.1 | -166 | -33.4 | 0 | 0 | 112.3 | W155 L156 L157 E161 K162 E163 | W155-Q159 VanDerWaalsContact CH2-NE2 3.28Å; W155-Q159 HydrophobicContact CZ2-CG 4.42Å; W155-Q159 WeakPolarHBondContact O-CG 3.5Å; W155-Q159 PolarHBondContact O-N 3.48Å; L156-Q159 PolarHBondContact O-N 2.92Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 3.43Å; Q159-E161 VanDerWaalsContact C-N 3.33Å; Q159-E161 PolarHBondContact O-N 2.96Å; Q159-K162 PolarHBondContact O-N 3.01Å; Q159-E163 WeakPolarHBondContact O-CG 3.42Å; Q159-E163 PolarHBondContact O-N 2.77Å |
| 160 | Q | 80.7 | Confident | 80.2 | Confident | 18 Ų | 18 | 84.4 Ų | 84.4 | 8% | 0.084 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63 | -40.6 | 177.2 | -68.1 | -62.7 | -82.2 | 0 | 0 | 111.7 | L156 L157 K162 E163 I164 Y190 | L156-Q160 WeakPolarHBondContact O-CG 3.38Å; L156-Q160 PolarHBondContact O-N 3.41Å; L157-Q160 PolarHBondContact O-N 3.28Å; Q160-K162 VanDerWaalsContact C-N 3.33Å; Q160-K162 PolarHBondContact O-N 2.89Å; Q160-E163 PolarHBondContact NE2-OE2 3Å; Q160-E163 PolarHBondContact O-N 3.36Å; Q160-I164 WeakPolarHBondContact O-CD1 3.3Å; Q160-I164 VanDerWaalsContact O-CG1 3.29Å; Q160-I164 WeakPolarHBondContact O-CG1 3.47Å; Q160-I164 PolarHBondContact O-N 3.06Å; Q160-Y190 HydrophobicContact CG-CD2 4.26Å; Q160-Y190 HydrophobicContact CG-CE2 3.81Å |
| 161 | E | 82.5 | Confident | 78.5 | Confident | 89 Ų | 89 | 86.3 Ų | 86.3 | 42% | 0.416 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 177 | -171.4 | 177.2 | -178.1 | 0 | 0 | 111.8 | L157 D158 Q159 I164 R165 | L157-E161 WeakPolarHBondContact O-CB 3.07Å; L157-E161 PolarHBondContact O-N 3.34Å; D158-E161 PolarHBondContact O-N 3.36Å; Q159-E161 VanDerWaalsContact C-N 3.33Å; Q159-E161 PolarHBondContact O-N 2.96Å; E161-I164 PolarHBondContact O-N 3.4Å; E161-R165 WeakPolarHBondContact O-CB 3.47Å; E161-R165 VanDerWaalsContact O-CG 3.25Å; E161-R165 WeakPolarHBondContact O-CG 3.46Å; E161-R165 PolarHBondContact O-N 2.87Å; E161-R165 IonicContact OE1-CZ 3.89Å; E161-R165 VanDerWaalsContact OE1-CZ 3.26Å; E161-R165 IonicContact OE1-NE 3.13Å; E161-R165 PolarHBondContact OE1-NE 3Å; E161-R165 IonicContact OE1-NH2 2.89Å; E161-R165 PolarHBondContact OE1-NH2 3.47Å |
| 162 | K | 84.3 | Confident | 76.5 | Confident | 108 Ų | 108 | 87 Ų | 87 | 47% | 0.47 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 174.2 | -76.6 | 168.2 | 178.9 | 165.5 | 0 | 112.1 | D158 Q159 Q160 R165 Q166 | D158-K162 WeakPolarHBondContact O-CB 3.4Å; D158-K162 VanDerWaalsContact O-CG 3.28Å; D158-K162 WeakPolarHBondContact O-CG 3.48Å; D158-K162 PolarHBondContact O-N 3.25Å; D158-K162 WeakPolarHBondContact OD1-CE 3.34Å; D158-K162 IonicContact OD1-NZ 2.65Å; D158-K162 VanDerWaalsContact OD2-CE 3.27Å; D158-K162 WeakPolarHBondContact OD2-CE 3.34Å; D158-K162 IonicContact OD2-NZ 2.89Å; D158-K162 PolarHBondContact OD2-NZ 3.25Å; Q159-K162 PolarHBondContact O-N 3.01Å; Q160-K162 VanDerWaalsContact C-N 3.33Å; Q160-K162 PolarHBondContact O-N 2.89Å; K162-R165 PolarHBondContact O-N 3.36Å; K162-Q166 WeakPolarHBondContact O-CB 3.5Å; K162-Q166 WeakPolarHBondContact O-CG 3.35Å; K162-Q166 PolarHBondContact O-N 3.06Å |
| 163 | E | 79.4 | Confident | 74.7 | Confident | 85 Ų | 85 | 92.1 Ų | 92.1 | 40% | 0.397 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 176.5 | -74.2 | 172.1 | -179.4 | 0 | 0 | 111.2 | Q159 Q160 R165 Q166 Q167 | Q159-E163 WeakPolarHBondContact O-CG 3.42Å; Q159-E163 PolarHBondContact O-N 2.77Å; Q160-E163 PolarHBondContact NE2-OE2 3Å; Q160-E163 PolarHBondContact O-N 3.36Å; E163-R165 PolarHBondContact O-N 3.29Å; E163-Q166 PolarHBondContact O-N 3.36Å; E163-Q167 WeakPolarHBondContact O-CG 3.23Å; E163-Q167 PolarHBondContact O-N 2.96Å |
| 164 | I | 75 | Confident | 73 | Confident | 44 Ų | 44 | 97.8 Ų | 97.8 | 23% | 0.226 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 178.1 | -64.4 | 163.2 | 0 | 0 | 0 | 111.3 | Q160 E161 G168 I187 | Q160-I164 WeakPolarHBondContact O-CD1 3.3Å; Q160-I164 VanDerWaalsContact O-CG1 3.29Å; Q160-I164 WeakPolarHBondContact O-CG1 3.47Å; Q160-I164 PolarHBondContact O-N 3.06Å; E161-I164 PolarHBondContact O-N 3.4Å; I164-G168 PolarHBondContact O-N 3.24Å; I164-G168 VanDerWaalsContact O-N 3.14Å; I164-I187 HydrophobicContact CD1-CD1 3.61Å; I164-I187 HydrophobicContact CD1-CG1 4.49Å |
| 165 | R | 77.3 | Confident | 71.2 | Confident | 184 Ų | 184 | 102.6 Ų | 102.6 | 69% | 0.694 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.4 | -36.3 | 177.9 | -73.8 | 175.2 | -177.6 | -157.4 | 4.7 | 112.7 | E161 K162 E163 | E161-R165 WeakPolarHBondContact O-CB 3.47Å; E161-R165 VanDerWaalsContact O-CG 3.25Å; E161-R165 WeakPolarHBondContact O-CG 3.46Å; E161-R165 PolarHBondContact O-N 2.87Å; E161-R165 IonicContact OE1-CZ 3.89Å; E161-R165 VanDerWaalsContact OE1-CZ 3.26Å; E161-R165 IonicContact OE1-NE 3.13Å; E161-R165 PolarHBondContact OE1-NE 3Å; E161-R165 IonicContact OE1-NH2 2.89Å; E161-R165 PolarHBondContact OE1-NH2 3.47Å; K162-R165 PolarHBondContact O-N 3.36Å; E163-R165 PolarHBondContact O-N 3.29Å |
| 166 | Q | 76.6 | Confident | 69.8 | Low | 170 Ų | 170 | 98.3 Ų | 98.3 | 79% | 0.794 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -74.8 | -40.2 | 179.4 | -76.1 | -179 | 1.7 | 0 | 0 | 112.5 | K162 E163 G168 | K162-Q166 WeakPolarHBondContact O-CB 3.5Å; K162-Q166 WeakPolarHBondContact O-CG 3.35Å; K162-Q166 PolarHBondContact O-N 3.06Å; E163-Q166 PolarHBondContact O-N 3.36Å; Q166-G168 VanDerWaalsContact C-N 3.25Å; Q166-G168 PolarHBondContact O-N 3.07Å |
| 167 | Q | 67.9 | Low | 68.7 | Low | 133 Ų | 133 | 103.9 Ų | 103.9 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.8 | -16.2 | -179.6 | -66.7 | -178.3 | 11.3 | 0 | 0 | 112.1 | E163 H170 | E163-Q167 WeakPolarHBondContact O-CG 3.23Å; E163-Q167 PolarHBondContact O-N 2.96Å; Q167-H170 PolarHBondContact O-CD2 3.34Å |
| 168 | G | 59.8 | Low | 67.8 | Low | 37 Ų | 37 | 107.5 Ų | 107.5 | 38% | 0.381 | 54% | 0.539 | S | S | . | . | trans | 65.9 | 156.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | I164 Q166 H170 | I164-G168 PolarHBondContact O-N 3.24Å; I164-G168 VanDerWaalsContact O-N 3.14Å; Q166-G168 VanDerWaalsContact C-N 3.25Å; Q166-G168 PolarHBondContact O-N 3.07Å; G168-H170 PolarHBondContact O-N 3.25Å | ||
| 169 | W | 60.7 | Low | 66.9 | Low | 223 Ų | 223 | 109.1 Ų | 109.1 | 85% | 0.845 | 55% | 0.547 | S | S | * | . | trans | -69.4 | 77.6 | 169.8 | -81.7 | 78.4 | 0 | 0 | 0 | 108.7 | P171 | W169-P171 WeakPolarHBondContact O-CD 3.43Š| ||
| 170 | H | 55.2 | Low | 66.2 | Low | 147 Ų | 147 | 112 Ų | 112 | 68% | 0.681 | 56% | 0.555 | S | S | * | * | trans | -81.9 | 107.2 | 178.6 | -101 | -63.7 | 0 | 0 | 0 | 109.7 | Q167 G168 S172 | Q167-H170 PolarHBondContact O-CD2 3.34Å; G168-H170 PolarHBondContact O-N 3.25Å; H170-S172 PolarHBondContact O-N 2.79Å; H170-S172 VanDerWaalsContact O-N 3.12Å | ||
| 171 | P | 55.6 | Low | 66.1 | Low | 122 Ų | 122 | 116 Ų | 116 | 79% | 0.792 | 58% | 0.576 | S | S | * | * | trans | -83.2 | 21.4 | -173.4 | 35.4 | -34.6 | 0 | 0 | 0 | 113.6 | W169 | W169-P171 WeakPolarHBondContact O-CD 3.43Š| ||
| 172 | S | 50.9 | Low | 65.8 | Low | 78 Ų | 78 | 114.2 Ų | 114.2 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | trans | -123.7 | 79 | -162.8 | 61.1 | 0 | 0 | 0 | 0 | 113.6 | H170 | H170-S172 PolarHBondContact O-N 2.79Å; H170-S172 VanDerWaalsContact O-N 3.12Å | ||
| 173 | Q | 51.4 | Low | 65.5 | Low | 143 Ų | 143 | 112.7 Ų | 112.7 | 67% | 0.668 | 56% | 0.563 | S | S | * | * | trans | -171 | 131.7 | 153 | -105.9 | 164.2 | 30.4 | 0 | 0 | 110.2 | L175 T176 | Q173-L175 PolarHBondContact O-N 3.49Å; Q173-T176 HydrophobicContact CB-CG2 3.66Å; Q173-T176 WeakPolarHBondContact O-CA 3.02Å; Q173-T176 WeakPolarHBondContact O-CB 3.35Å; Q173-T176 WeakPolarHBondContact O-CG2 3.43Å; Q173-T176 PolarHBondContact O-N 3.06Å; Q173-T176 PolarHBondContact O-OG1 3.33Å | ||
| 174 | S | 51.1 | Low | 65.6 | Low | 119 Ų | 119 | 112.6 Ų | 112.6 | 83% | 0.832 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -15.5 | -177.9 | 47.7 | 0 | 0 | 0 | 0 | 114.6 | T176 | S174-T176 PolarHBondContact O-N 3.44Š|
| 175 | L | 52.2 | Low | 66 | Low | 133 Ų | 133 | 112.6 Ų | 112.6 | 70% | 0.696 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -6.1 | 165.5 | -74.5 | 103.1 | 0 | 0 | 0 | 112.9 | Q173 E177 | Q173-L175 PolarHBondContact O-N 3.49Å; L175-E177 PolarHBondContact O-N 2.86Å |
| 176 | T | 59 | Low | 66.1 | Low | 50 Ų | 50 | 105.8 Ų | 105.8 | 31% | 0.307 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.6 | -18.6 | -178.5 | 62.3 | 0 | 0 | 0 | 0 | 113.6 | Q173 S174 L178 N179 R180 | Q173-T176 HydrophobicContact CB-CG2 3.66Å; Q173-T176 WeakPolarHBondContact O-CA 3.02Å; Q173-T176 WeakPolarHBondContact O-CB 3.35Å; Q173-T176 WeakPolarHBondContact O-CG2 3.43Å; Q173-T176 PolarHBondContact O-N 3.06Å; Q173-T176 PolarHBondContact O-OG1 3.33Å; S174-T176 PolarHBondContact O-N 3.44Å; T176-L178 PolarHBondContact O-N 2.89Å; T176-N179 PolarHBondContact O-N 3.03Å; T176-R180 WeakPolarHBondContact O-CA 3.39Å; T176-R180 WeakPolarHBondContact O-CB 3.32Å; T176-R180 PolarHBondContact O-N 3.26Å |
| 177 | E | 64.9 | Low | 66.4 | Low | 126 Ų | 126 | 99.9 Ų | 99.9 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.6 | -46.4 | -176.7 | -69.8 | -162.7 | 158.8 | 0 | 0 | 112.1 | L175 I181 | L175-E177 PolarHBondContact O-N 2.86Å; E177-I181 WeakPolarHBondContact O-CD1 3.5Å; E177-I181 VanDerWaalsContact O-CG1 3.23Å; E177-I181 WeakPolarHBondContact O-CG1 3.35Å; E177-I181 PolarHBondContact O-N 3.2Å |
| 178 | L | 65.4 | Low | 67.3 | Low | 117 Ų | 117 | 95.6 Ų | 95.6 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.4 | -45.4 | 175.9 | -171.7 | 69.4 | 0 | 0 | 0 | 111.1 | T176 R180 I181 I182 | T176-L178 PolarHBondContact O-N 2.89Å; L178-R180 VanDerWaalsContact C-N 3.31Å; L178-R180 PolarHBondContact O-N 3.32Å; L178-I181 PolarHBondContact O-N 2.96Å; L178-I182 HydrophobicContact CD2-CD1 4.5Å; L178-I182 HydrophobicContact CG-CD1 3.96Å; L178-I182 VanDerWaalsContact O-CG1 3.27Å; L178-I182 WeakPolarHBondContact O-CG1 3.22Å; L178-I182 PolarHBondContact O-N 2.95Å |
| 179 | N | 70.6 | Confident | 68.5 | Low | 96 Ų | 96 | 95.2 Ų | 95.2 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 178.8 | -73.5 | -13.3 | 0 | 0 | 0 | 111.9 | T176 I182 E183 | T176-N179 PolarHBondContact O-N 3.03Å; N179-I182 PolarHBondContact O-N 3.45Å; N179-E183 WeakPolarHBondContact O-CB 3.44Å; N179-E183 PolarHBondContact O-N 3.19Å |
| 180 | R | 69.9 | Low | 69.7 | Low | 131 Ų | 131 | 84.8 Ų | 84.8 | 49% | 0.494 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 175.7 | -177.2 | -178.9 | 69.7 | 171.1 | -1.7 | 111.4 | T176 L178 I182 N184 | T176-R180 WeakPolarHBondContact O-CA 3.39Å; T176-R180 WeakPolarHBondContact O-CB 3.32Å; T176-R180 PolarHBondContact O-N 3.26Å; L178-R180 VanDerWaalsContact C-N 3.31Å; L178-R180 PolarHBondContact O-N 3.32Å; R180-I182 VanDerWaalsContact C-N 3.32Å; R180-N184 WeakPolarHBondContact O-CB 3.35Å; R180-N184 PolarHBondContact O-N 2.92Å; R180-N184 PolarHBondContact O-ND2 2.85Å |
| 181 | I | 78.2 | Confident | 71.3 | Confident | 100 Ų | 100 | 80.7 Ų | 80.7 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 173.6 | -69.9 | 164.1 | 0 | 0 | 0 | 109.5 | E177 L178 T185 | E177-I181 WeakPolarHBondContact O-CD1 3.5Å; E177-I181 VanDerWaalsContact O-CG1 3.23Å; E177-I181 WeakPolarHBondContact O-CG1 3.35Å; E177-I181 PolarHBondContact O-N 3.2Å; L178-I181 PolarHBondContact O-N 2.96Å; I181-T185 VanDerWaalsContact O-CB 3.22Å; I181-T185 WeakPolarHBondContact O-CB 3.38Å; I181-T185 PolarHBondContact O-N 3.47Å; I181-T185 PolarHBondContact O-OG1 3.37Å |
| 182 | I | 77.5 | Confident | 72.9 | Confident | 52 Ų | 52 | 77.9 Ų | 77.9 | 27% | 0.267 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 179.2 | -67.1 | 166.3 | 0 | 0 | 0 | 111 | Y97 L178 N179 R180 T185 K186 | Y97-I182 HydrophobicContact CD1-CG1 4.23Å; Y97-I182 HydrophobicContact CD1-CG2 4.16Å; Y97-I182 HydrophobicContact CE1-CG1 4.35Å; L178-I182 HydrophobicContact CD2-CD1 4.5Å; L178-I182 HydrophobicContact CG-CD1 3.96Å; L178-I182 VanDerWaalsContact O-CG1 3.27Å; L178-I182 WeakPolarHBondContact O-CG1 3.22Å; L178-I182 PolarHBondContact O-N 2.95Å; N179-I182 PolarHBondContact O-N 3.45Å; R180-I182 VanDerWaalsContact C-N 3.32Å; I182-T185 CarbonylContact O-C 3.6Å; I182-T185 WeakPolarHBondContact O-CB 3.35Å; I182-T185 PolarHBondContact O-N 2.96Å; I182-K186 WeakPolarHBondContact O-CB 3.45Å; I182-K186 PolarHBondContact O-N 3.03Å |
| 183 | E | 76.9 | Confident | 74.7 | Confident | 77 Ų | 77 | 74.2 Ų | 74.2 | 36% | 0.36 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.8 | -45.1 | -178.3 | -166.7 | 174.2 | -161.4 | 0 | 0 | 111.9 | N179 T185 K186 I187 | N179-E183 WeakPolarHBondContact O-CB 3.44Å; N179-E183 PolarHBondContact O-N 3.19Å; E183-T185 VanDerWaalsContact C-N 3.26Å; E183-T185 PolarHBondContact O-N 2.9Å; E183-K186 WeakPolarHBondContact O-CB 3.2Å; E183-K186 PolarHBondContact O-N 3.33Å; E183-K186 VanDerWaalsContact O-N 3.14Å; E183-I187 HydrophobicContact CG-CD1 4.45Å; E183-I187 WeakPolarHBondContact O-CG1 3.34Å; E183-I187 PolarHBondContact O-N 3.42Å |
| 184 | N | 81.2 | Confident | 76.4 | Confident | 83 Ų | 83 | 69.7 Ų | 69.7 | 44% | 0.444 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 171.8 | -73.6 | -15.4 | 0 | 0 | 0 | 111.4 | R180 A188 | R180-N184 WeakPolarHBondContact O-CB 3.35Å; R180-N184 PolarHBondContact O-N 2.92Å; R180-N184 PolarHBondContact O-ND2 2.85Å; N184-A188 VanDerWaalsContact O-CB 3.25Å; N184-A188 WeakPolarHBondContact O-CB 3.39Å; N184-A188 PolarHBondContact O-N 3.41Å |
| 185 | T | 83.7 | Confident | 78.4 | Confident | 43 Ų | 43 | 68.5 Ų | 68.5 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 175.4 | -58.9 | 0 | 0 | 0 | 0 | 110.2 | I181 I182 E183 I187 A188 M189 | I181-T185 VanDerWaalsContact O-CB 3.22Å; I181-T185 WeakPolarHBondContact O-CB 3.38Å; I181-T185 PolarHBondContact O-N 3.47Å; I181-T185 PolarHBondContact O-OG1 3.37Å; I182-T185 CarbonylContact O-C 3.6Å; I182-T185 WeakPolarHBondContact O-CB 3.35Å; I182-T185 PolarHBondContact O-N 2.96Å; E183-T185 VanDerWaalsContact C-N 3.26Å; E183-T185 PolarHBondContact O-N 2.9Å; T185-I187 PolarHBondContact O-N 3.31Å; T185-A188 CarbonylContact O-C 3.59Å; T185-A188 WeakPolarHBondContact O-CB 3.39Å; T185-A188 PolarHBondContact O-N 2.94Å; T185-M189 HydrophobicContact CG2-CE 3.78Å; T185-M189 HydrophobicContact CG2-CG 4.26Å; T185-M189 VanDerWaalsContact O-CG 3.23Å; T185-M189 WeakPolarHBondContact O-CG 3.27Å; T185-M189 PolarHBondContact O-N 2.68Å |
| 186 | K | 80.4 | Confident | 80.3 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 18% | 0.178 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 177.4 | -178.5 | 175.7 | 176.7 | 172.8 | 0 | 111.9 | D98 I182 E183 A188 M189 Y190 | D98-K186 VanDerWaalsContact CG-NZ 3.3Å; D98-K186 IonicContact OD1-NZ 3.05Å; D98-K186 PolarHBondContact OD1-NZ 2.89Å; D98-K186 WeakPolarHBondContact OD2-CE 3.16Å; D98-K186 IonicContact OD2-NZ 3.26Å; D98-K186 PolarHBondContact OD2-NZ 3.17Å; I182-K186 WeakPolarHBondContact O-CB 3.45Å; I182-K186 PolarHBondContact O-N 3.03Å; E183-K186 WeakPolarHBondContact O-CB 3.2Å; E183-K186 PolarHBondContact O-N 3.33Å; E183-K186 VanDerWaalsContact O-N 3.14Å; K186-A188 VanDerWaalsContact C-N 3.34Å; K186-A188 PolarHBondContact O-N 3.23Å; K186-M189 PolarHBondContact O-N 3.48Å; K186-Y190 HydrophobicContact CD-CE2 4.3Å; K186-Y190 WeakPolarHBondContact CE-OH 3.33Å; K186-Y190 HydrophobicContact CG-CD2 4.28Å; K186-Y190 HydrophobicContact CG-CE2 3.76Å; K186-Y190 PolarHBondContact O-N 3Å |
| 187 | I | 82.4 | Confident | 81.8 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 176.2 | -61.8 | 163.9 | 0 | 0 | 0 | 110.5 | I164 E183 T185 M189 Y190 T191 | I164-I187 HydrophobicContact CD1-CD1 3.61Å; I164-I187 HydrophobicContact CD1-CG1 4.49Å; E183-I187 HydrophobicContact CG-CD1 4.45Å; E183-I187 WeakPolarHBondContact O-CG1 3.34Å; E183-I187 PolarHBondContact O-N 3.42Å; T185-I187 PolarHBondContact O-N 3.31Å; I187-M189 VanDerWaalsContact C-N 3.33Å; I187-M189 PolarHBondContact O-N 2.97Å; I187-Y190 PolarHBondContact O-N 3.4Å; I187-T191 HydrophobicContact CG2-CG2 4.49Å; I187-T191 WeakPolarHBondContact O-CG2 3.49Å; I187-T191 PolarHBondContact O-N 2.84Å; I187-T191 PolarHBondContact O-OG1 3.37Å |
| 188 | A | 86.8 | Confident | 83.1 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 35% | 0.347 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N184 T185 K186 T191 L192 | N184-A188 VanDerWaalsContact O-CB 3.25Å; N184-A188 WeakPolarHBondContact O-CB 3.39Å; N184-A188 PolarHBondContact O-N 3.41Å; T185-A188 CarbonylContact O-C 3.59Å; T185-A188 WeakPolarHBondContact O-CB 3.39Å; T185-A188 PolarHBondContact O-N 2.94Å; K186-A188 VanDerWaalsContact C-N 3.34Å; K186-A188 PolarHBondContact O-N 3.23Å; A188-T191 WeakPolarHBondContact CA-OG1 3.34Å; A188-T191 PolarHBondContact O-OG1 2.94Å; A188-L192 WeakPolarHBondContact O-CB 3.34Å; A188-L192 VanDerWaalsContact O-CG 3.22Å; A188-L192 WeakPolarHBondContact O-CG 3.49Å; A188-L192 PolarHBondContact O-N 2.98Å |
| 189 | M | 85.5 | Confident | 84.5 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 15% | 0.148 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 178 | -66.6 | -55.6 | 154.1 | 0 | 0 | 112.1 | F90 I93 T185 K186 I187 L192 H193 | F90-M189 HydrophobicContact CD1-CE 4.45Å; F90-M189 HydrophobicContact CD1-SD 3.35Å; F90-M189 WeakPolarHBondContact CD1-SD 3.44Å; F90-M189 HydrophobicContact CE1-SD 3.84Å; F90-M189 HydrophobicContact CG-SD 4.23Å; I93-M189 HydrophobicContact CG2-CE 4.31Å; I93-M189 HydrophobicContact CG2-CG 4.33Å; I93-M189 HydrophobicContact CG2-SD 4.4Å; T185-M189 HydrophobicContact CG2-CE 3.78Å; T185-M189 HydrophobicContact CG2-CG 4.26Å; T185-M189 VanDerWaalsContact O-CG 3.23Å; T185-M189 WeakPolarHBondContact O-CG 3.27Å; T185-M189 PolarHBondContact O-N 2.68Å; K186-M189 PolarHBondContact O-N 3.48Å; I187-M189 VanDerWaalsContact C-N 3.33Å; I187-M189 PolarHBondContact O-N 2.97Å; M189-L192 PolarHBondContact O-N 3.48Å; M189-L192 HydrophobicContact SD-CD1 4.3Å; M189-H193 PolarHBondContact O-CD2 2.96Å; M189-H193 PolarHBondContact O-N 2.86Å |
| 190 | Y | 85.3 | Confident | 85.5 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 176.3 | -66.5 | -22.4 | 0 | 0 | 0 | 112.4 | D98 Y102 L156 Q160 K186 I187 H193 M194 | D98-Y190 PolarHBondContact OD2-OH 3.16Å; Y102-Y190 HydrophobicContact CE2-CE1 4.5Å; L156-Y190 HydrophobicContact CB-CE2 4.34Å; Q160-Y190 HydrophobicContact CG-CD2 4.26Å; Q160-Y190 HydrophobicContact CG-CE2 3.81Å; K186-Y190 HydrophobicContact CD-CE2 4.3Å; K186-Y190 WeakPolarHBondContact CE-OH 3.33Å; K186-Y190 HydrophobicContact CG-CD2 4.28Å; K186-Y190 HydrophobicContact CG-CE2 3.76Å; K186-Y190 PolarHBondContact O-N 3Å; I187-Y190 PolarHBondContact O-N 3.4Å; Y190-H193 PolarHBondContact O-N 3.24Å; Y190-M194 VanDerWaalsContact O-CG 3.27Å; Y190-M194 WeakPolarHBondContact O-CG 3.41Å; Y190-M194 PolarHBondContact O-N 3.45Å |
| 191 | T | 88.9 | Confident | 86.6 | Confident | 62 Ų | 62 | 44 Ų | 44 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 175.1 | 51.1 | 0 | 0 | 0 | 0 | 111.9 | L157 I187 A188 M194 V195 | L157-T191 HydrophobicContact CD1-CG2 4.47Å; I187-T191 HydrophobicContact CG2-CG2 4.49Å; I187-T191 WeakPolarHBondContact O-CG2 3.49Å; I187-T191 PolarHBondContact O-N 2.84Å; I187-T191 PolarHBondContact O-OG1 3.37Å; A188-T191 WeakPolarHBondContact CA-OG1 3.34Å; A188-T191 PolarHBondContact O-OG1 2.94Å; T191-M194 WeakPolarHBondContact O-CB 3.46Å; T191-M194 PolarHBondContact O-N 3.42Å; T191-V195 WeakPolarHBondContact O-CG2 2.97Å; T191-V195 PolarHBondContact O-N 2.97Å |
| 192 | L | 88.2 | Confident | 87.4 | Confident | 63 Ų | 63 | 44.4 Ų | 44.4 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 172.4 | -72.8 | 167.2 | 0 | 0 | 0 | 111.8 | F90 A188 M189 M194 V195 F196 | F90-L192 HydrophobicContact CE1-CD1 3.93Å; F90-L192 HydrophobicContact CE2-CB 4.38Å; F90-L192 HydrophobicContact CZ-CD1 3.92Å; A188-L192 WeakPolarHBondContact O-CB 3.34Å; A188-L192 VanDerWaalsContact O-CG 3.22Å; A188-L192 WeakPolarHBondContact O-CG 3.49Å; A188-L192 PolarHBondContact O-N 2.98Å; M189-L192 PolarHBondContact O-N 3.48Å; M189-L192 HydrophobicContact SD-CD1 4.3Å; L192-M194 VanDerWaalsContact C-N 3.28Å; L192-M194 PolarHBondContact O-N 2.92Å; L192-V195 PolarHBondContact O-N 3.26Å; L192-F196 HydrophobicContact CB-CD2 4.27Å; L192-F196 HydrophobicContact CB-CE2 4.25Å; L192-F196 HydrophobicContact CD2-CE2 3.97Å; L192-F196 WeakPolarHBondContact O-CD2 3.34Å; L192-F196 PolarHBondContact O-N 3.29Å |
| 193 | H | 88.6 | Confident | 88.1 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.3 | -37.5 | 174.1 | -92.8 | -112.4 | 0 | 0 | 0 | 112.6 | I87 F90 G91 Y102 S105 T153 M189 Y190 V195 F196 T197 | I87-H193 PolarHBondContact O-CE1 2.92Å; F90-H193 VanDerWaalsContact CB-CD2 3.41Å; F90-H193 WeakPolarHBondContact CB-CD2 3.46Å; F90-H193 WeakPolarHBondContact CB-NE2 2.92Å; G91-H193 PolarHBondContact N-NE2 2.94Å; Y102-H193 AromaticContact CE1-CE1 3.74Å; Y102-H193 AromaticContact CZ-CE1 3.85Å; Y102-H193 AromaticContact CZ-ND1 3.87Å; Y102-H193 PolarHBondContact OH-CE1 2.95Å; Y102-H193 PolarHBondContact OH-ND1 3.42Å; S105-H193 PolarHBondContact OG-CE1 3.23Å; T153-H193 HydrophobicContact CG2-CB 3.77Å; M189-H193 PolarHBondContact O-CD2 2.96Å; M189-H193 PolarHBondContact O-N 2.86Å; Y190-H193 PolarHBondContact O-N 3.24Å; H193-V195 PolarHBondContact O-N 2.85Å; H193-F196 PolarHBondContact O-N 3.43Å; H193-T197 WeakPolarHBondContact O-CB 3.29Å; H193-T197 PolarHBondContact O-N 3.13Å; H193-T197 PolarHBondContact O-OG1 3.48Å |
| 194 | M | 88.7 | Confident | 88.8 | Confident | 47 Ų | 47 | 39.7 Ų | 39.7 | 23% | 0.232 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -20.8 | 175.5 | -72.3 | -75.7 | -103.5 | 0 | 0 | 112.9 | F150 T153 A154 L157 Y190 T191 L192 P198 | F150-M194 HydrophobicContact CD2-SD 3.87Å; F150-M194 HydrophobicContact CE2-CE 4.32Å; F150-M194 HydrophobicContact CE2-SD 3.59Å; F150-M194 VanDerWaalsContact CE2-SD 3.59Å; F150-M194 HydrophobicContact CZ-CE 4.39Å; F150-M194 HydrophobicContact CZ-SD 4.2Å; T153-M194 HydrophobicContact CG2-CG 3.82Å; T153-M194 HydrophobicContact CG2-SD 4.09Å; A154-M194 VanDerWaalsContact CA-CE 3.5Å; A154-M194 HydrophobicContact CB-CE 3.53Å; A154-M194 HydrophobicContact CB-SD 4.03Å; L157-M194 HydrophobicContact CD2-CE 4.2Å; L157-M194 HydrophobicContact CD2-CG 4.47Å; Y190-M194 VanDerWaalsContact O-CG 3.27Å; Y190-M194 WeakPolarHBondContact O-CG 3.41Å; Y190-M194 PolarHBondContact O-N 3.45Å; T191-M194 WeakPolarHBondContact O-CB 3.46Å; T191-M194 PolarHBondContact O-N 3.42Å; L192-M194 VanDerWaalsContact C-N 3.28Å; L192-M194 PolarHBondContact O-N 2.92Å; M194-P198 WeakPolarHBondContact O-CD 3.49Å; M194-P198 WeakPolarHBondContact O-CG 3.33Å |
| 195 | V | 92.9 | Very high | 89.4 | Confident | 95 Ų | 95 | 39.4 Ų | 39.4 | 58% | 0.576 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -90.7 | -46.3 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | T191 L192 H193 P198 A199 | T191-V195 WeakPolarHBondContact O-CG2 2.97Å; T191-V195 PolarHBondContact O-N 2.97Å; L192-V195 PolarHBondContact O-N 3.26Å; H193-V195 PolarHBondContact O-N 2.85Å; V195-P198 WeakPolarHBondContact O-CD 3.33Å; V195-P198 WeakPolarHBondContact O-CG 3.47Å; V195-A199 PolarHBondContact O-N 2.85Å |
| 196 | F | 92.1 | Very high | 89.8 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 19% | 0.193 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -75.2 | -32.2 | -175.4 | -70.7 | -62.6 | 0 | 0 | 0 | 113.8 | L83 I87 F90 L192 H193 A199 H200 | L83-F196 HydrophobicContact CD2-CD1 3.77Å; L83-F196 HydrophobicContact CD2-CE1 4.44Å; I87-F196 HydrophobicContact CG1-CB 4.06Å; F90-F196 HydrophobicContact CD2-CD2 4.21Å; F90-F196 HydrophobicContact CD2-CE2 4.46Å; F90-F196 AromaticContact CE2-CD2 3.65Å; F90-F196 HydrophobicContact CE2-CD2 3.65Å; F90-F196 AromaticContact CE2-CE2 3.48Å; F90-F196 HydrophobicContact CE2-CE2 3.48Å; F90-F196 VanDerWaalsContact CE2-CE2 3.48Å; F90-F196 HydrophobicContact CE2-CZ 4.47Å; F90-F196 HydrophobicContact CZ-CE2 4.1Å; L192-F196 HydrophobicContact CB-CD2 4.27Å; L192-F196 HydrophobicContact CB-CE2 4.25Å; L192-F196 HydrophobicContact CD2-CE2 3.97Å; L192-F196 WeakPolarHBondContact O-CD2 3.34Å; L192-F196 PolarHBondContact O-N 3.29Å; H193-F196 PolarHBondContact O-N 3.43Å; F196-A199 PolarHBondContact O-N 3.27Å; F196-H200 WeakPolarHBondContact O-CB 3.41Å; F196-H200 PolarHBondContact O-N 2.83Å |
| 197 | T | 90.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -50.2 | 177.9 | -53.5 | 0 | 0 | 0 | 0 | 112.7 | S146 L149 F150 H193 A199 H200 A201 | S146-T197 WeakPolarHBondContact O-CG2 3.25Å; S146-T197 PolarHBondContact OG-O 2.87Å; S146-T197 VanDerWaalsContact OG-O 3.06Å; L149-T197 HydrophobicContact CB-CG2 4.14Å; L149-T197 HydrophobicContact CD2-CG2 4.06Å; L149-T197 HydrophobicContact CG-CG2 4.19Å; F150-T197 HydrophobicContact CB-CG2 3.9Å; H193-T197 WeakPolarHBondContact O-CB 3.29Å; H193-T197 PolarHBondContact O-N 3.13Å; H193-T197 PolarHBondContact O-OG1 3.48Å; T197-A199 VanDerWaalsContact C-N 3.34Å; T197-H200 PolarHBondContact O-N 2.97Å; T197-A201 PolarHBondContact O-N 3.02Å |
| 198 | P | 92.7 | Very high | 90.5 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68 | -32.4 | 175.1 | 24.8 | -32.6 | 0 | 0 | 0 | 112.7 | M194 V195 H200 A201 I202 | M194-P198 WeakPolarHBondContact O-CD 3.49Å; M194-P198 WeakPolarHBondContact O-CG 3.33Å; V195-P198 WeakPolarHBondContact O-CD 3.33Å; V195-P198 WeakPolarHBondContact O-CG 3.47Å; P198-H200 VanDerWaalsContact C-N 3.31Å; P198-H200 PolarHBondContact O-N 3.49Å; P198-A201 WeakPolarHBondContact O-CB 3.17Å; P198-A201 PolarHBondContact O-N 3.29Å; P198-I202 WeakPolarHBondContact O-CG1 3.48Å; P198-I202 PolarHBondContact O-N 3.47Å |
| 199 | A | 93.1 | Very high | 90.6 | Very high | 33 Ų | 33 | 40 Ų | 40 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59 | -44.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L83 V195 F196 T197 I202 C203 | L83-A199 HydrophobicContact CD1-CB 4.29Å; L83-A199 HydrophobicContact CD2-CB 4.14Å; V195-A199 PolarHBondContact O-N 2.85Å; F196-A199 PolarHBondContact O-N 3.27Å; T197-A199 VanDerWaalsContact C-N 3.34Å; A199-I202 PolarHBondContact O-N 3.23Å; A199-C203 PolarHBondContact O-N 3.41Å; A199-C203 VanDerWaalsContact O-N 3.1Å; A199-C203 PolarHBondContact O-SG 3.44Å; A199-C203 VanDerWaalsContact O-SG 3.41Å |
| 200 | H | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | 174.3 | -174.7 | -90.6 | 0 | 0 | 0 | 111.6 | L83 I87 F112 S142 F196 T197 P198 I202 C203 T204 | L83-H200 HydrophobicContact CB-CB 4.24Å; L83-H200 HydrophobicContact CD1-CB 4.37Å; I87-H200 HydrophobicContact CD1-CB 4.04Å; F112-H200 AromaticContact CD1-CE1 3.59Å; F112-H200 AromaticContact CD2-CE1 4Å; F112-H200 AromaticContact CG-CE1 3.54Å; F112-H200 AromaticContact CG-NE2 3.9Å; S142-H200 PolarHBondContact OG-CE1 2.76Å; F196-H200 WeakPolarHBondContact O-CB 3.41Å; F196-H200 PolarHBondContact O-N 2.83Å; T197-H200 PolarHBondContact O-N 2.97Å; P198-H200 VanDerWaalsContact C-N 3.31Å; P198-H200 PolarHBondContact O-N 3.49Å; H200-I202 VanDerWaalsContact C-N 3.35Å; H200-I202 PolarHBondContact O-N 3.37Å; H200-C203 PolarHBondContact O-N 2.91Å; H200-T204 WeakPolarHBondContact O-CG2 3.44Å; H200-T204 PolarHBondContact O-N 3.39Å; H200-T204 PolarHBondContact O-OG1 3.26Å |
| 201 | A | 92.7 | Very high | 90.6 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 13% | 0.132 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | T197 P198 T204 I205 | T197-A201 PolarHBondContact O-N 3.02Å; P198-A201 WeakPolarHBondContact O-CB 3.17Å; P198-A201 PolarHBondContact O-N 3.29Å; A201-T204 WeakPolarHBondContact CA-OG1 3.23Å; A201-T204 PolarHBondContact O-N 3.47Å; A201-T204 PolarHBondContact O-OG1 3.41Å; A201-I205 VanDerWaalsContact O-CG1 3.26Å; A201-I205 WeakPolarHBondContact O-CG1 3.04Å; A201-I205 PolarHBondContact O-N 3.02Å |
| 202 | I | 94.1 | Very high | 90.3 | Very high | 108 Ų | 108 | 43.5 Ų | 43.5 | 55% | 0.554 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.1 | -43.8 | 176.3 | -66.8 | 163.5 | 0 | 0 | 0 | 110.1 | P198 A199 H200 T204 I205 V206 | P198-I202 WeakPolarHBondContact O-CG1 3.48Å; P198-I202 PolarHBondContact O-N 3.47Å; A199-I202 PolarHBondContact O-N 3.23Å; H200-I202 VanDerWaalsContact C-N 3.35Å; H200-I202 PolarHBondContact O-N 3.37Å; I202-T204 VanDerWaalsContact C-N 3.33Å; I202-T204 PolarHBondContact O-N 3.49Å; I202-I205 PolarHBondContact O-N 3.4Å; I202-V206 WeakPolarHBondContact O-CG2 3.38Å; I202-V206 PolarHBondContact O-N 3.37Å |
| 203 | C | 92.7 | Very high | 89.9 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 19% | 0.189 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -36.8 | 175.9 | -67.3 | 0 | 0 | 0 | 0 | 112.7 | C76 Q80 L83 A199 H200 V206 S207 | C76-C203 PolarHBondContact SG-O 2.89Å; C76-C203 VanDerWaalsContact SG-O 3.38Å; Q80-C203 HydrophobicContact CG-CB 3.71Å; Q80-C203 PolarHBondContact NE2-O 3.22Å; L83-C203 HydrophobicContact CD1-CB 4.4Å; A199-C203 PolarHBondContact O-N 3.41Å; A199-C203 VanDerWaalsContact O-N 3.1Å; A199-C203 PolarHBondContact O-SG 3.44Å; A199-C203 VanDerWaalsContact O-SG 3.41Å; H200-C203 PolarHBondContact O-N 2.91Å; C203-V206 PolarHBondContact O-N 2.82Å; C203-S207 PolarHBondContact O-N 3.49Å; C203-S207 PolarHBondContact O-OG 3.48Å |
| 204 | T | 91.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.1 | -35 | 175.2 | 58.9 | 0 | 0 | 0 | 0 | 112.4 | Q80 H200 A201 I202 S207 S208 | Q80-T204 VanDerWaalsContact NE2-CA 3.32Å; H200-T204 WeakPolarHBondContact O-CG2 3.44Å; H200-T204 PolarHBondContact O-N 3.39Å; H200-T204 PolarHBondContact O-OG1 3.26Å; A201-T204 WeakPolarHBondContact CA-OG1 3.23Å; A201-T204 PolarHBondContact O-N 3.47Å; A201-T204 PolarHBondContact O-OG1 3.41Å; I202-T204 VanDerWaalsContact C-N 3.33Å; I202-T204 PolarHBondContact O-N 3.49Å; T204-S207 PolarHBondContact O-N 2.77Å; T204-S208 VanDerWaalsContact O-CB 3.24Å; T204-S208 WeakPolarHBondContact O-CB 3.36Å; T204-S208 PolarHBondContact O-N 3.21Å |
| 205 | I | 93.3 | Very high | 88.5 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 40% | 0.4 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 171.7 | -68.4 | 164.7 | 0 | 0 | 0 | 110.6 | L143 A201 I202 S207 S208 I209 | L143-I205 HydrophobicContact CD1-CD1 4.32Å; L143-I205 HydrophobicContact CD1-CG1 3.48Å; L143-I205 VanDerWaalsContact CD1-CG1 3.48Å; A201-I205 VanDerWaalsContact O-CG1 3.26Å; A201-I205 WeakPolarHBondContact O-CG1 3.04Å; A201-I205 PolarHBondContact O-N 3.02Å; I202-I205 PolarHBondContact O-N 3.4Å; I205-S207 PolarHBondContact O-N 3.23Å; I205-S208 WeakPolarHBondContact O-CB 3.42Å; I205-S208 PolarHBondContact O-N 3.48Å; I205-S208 VanDerWaalsContact O-N 3.15Å; I205-I209 HydrophobicContact CG2-CD1 3.78Å; I205-I209 HydrophobicContact CG2-CG1 4.4Å; I205-I209 VanDerWaalsContact O-CG1 3.31Å; I205-I209 WeakPolarHBondContact O-CG1 3.38Å; I205-I209 PolarHBondContact O-N 3.4Å |
| 206 | V | 91.8 | Very high | 87.4 | Confident | 70 Ų | 70 | 48.5 Ų | 48.5 | 42% | 0.424 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 178.6 | 174.4 | 0 | 0 | 0 | 0 | 111 | I202 C203 S208 I209 L210 | I202-V206 WeakPolarHBondContact O-CG2 3.38Å; I202-V206 PolarHBondContact O-N 3.37Å; C203-V206 PolarHBondContact O-N 2.82Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 3.09Å; V206-I209 PolarHBondContact O-N 3.45Å; V206-L210 HydrophobicContact CG1-CD1 4.32Å; V206-L210 WeakPolarHBondContact O-CG 3.22Å; V206-L210 PolarHBondContact O-N 2.9Å |
| 207 | S | 89.6 | Confident | 85.8 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 174.1 | -81.9 | 0 | 0 | 0 | 0 | 112.6 | C76 Q80 C203 T204 I205 L210 C211 | C76-S207 PolarHBondContact SG-OG 3.18Å; Q80-S207 VanDerWaalsContact NE2-CB 3.29Å; Q80-S207 PolarHBondContact NE2-OG 3.16Å; C203-S207 PolarHBondContact O-N 3.49Å; C203-S207 PolarHBondContact O-OG 3.48Å; T204-S207 PolarHBondContact O-N 2.77Å; I205-S207 PolarHBondContact O-N 3.23Å; S207-L210 PolarHBondContact O-N 2.81Å; S207-C211 WeakPolarHBondContact O-CB 3.45Å; S207-C211 PolarHBondContact O-N 3.38Å; S207-C211 PolarHBondContact O-SG 3.03Å |
| 208 | S | 89.3 | Confident | 83.8 | Confident | 31 Ų | 31 | 52.9 Ų | 52.9 | 22% | 0.217 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 178.1 | -172.5 | 0 | 0 | 0 | 0 | 111.7 | T204 I205 V206 C211 F212 | T204-S208 VanDerWaalsContact O-CB 3.24Å; T204-S208 WeakPolarHBondContact O-CB 3.36Å; T204-S208 PolarHBondContact O-N 3.21Å; I205-S208 WeakPolarHBondContact O-CB 3.42Å; I205-S208 PolarHBondContact O-N 3.48Å; I205-S208 VanDerWaalsContact O-N 3.15Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 3.09Å; S208-C211 WeakPolarHBondContact O-CB 3.48Å; S208-C211 PolarHBondContact O-N 3.37Å; S208-F212 WeakPolarHBondContact O-CB 3.42Å; S208-F212 PolarHBondContact O-N 2.75Å |
| 209 | I | 88.9 | Confident | 81.7 | Confident | 81 Ų | 81 | 55.5 Ų | 55.5 | 42% | 0.415 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 174.5 | -69.9 | 167.9 | 0 | 0 | 0 | 110.4 | I205 V206 C211 F212 Y213 | I205-I209 HydrophobicContact CG2-CD1 3.78Å; I205-I209 HydrophobicContact CG2-CG1 4.4Å; I205-I209 VanDerWaalsContact O-CG1 3.31Å; I205-I209 WeakPolarHBondContact O-CG1 3.38Å; I205-I209 PolarHBondContact O-N 3.4Å; V206-I209 PolarHBondContact O-N 3.45Å; I209-C211 PolarHBondContact O-N 3.39Å; I209-F212 PolarHBondContact O-N 2.92Å; I209-Y213 HydrophobicContact CG2-CD2 3.57Å; I209-Y213 HydrophobicContact CG2-CE2 3.34Å; I209-Y213 WeakPolarHBondContact O-CD2 3.39Å; I209-Y213 PolarHBondContact O-N 3.47Å |
| 210 | L | 85.2 | Confident | 79.2 | Confident | 38 Ų | 38 | 61.6 Ų | 61.6 | 20% | 0.199 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 175.5 | -70.8 | 172.4 | 0 | 0 | 0 | 111.2 | V73 V206 S207 F212 Y213 N214 | V73-L210 HydrophobicContact CG2-CB 4.44Å; V73-L210 HydrophobicContact CG2-CD1 4.32Å; V206-L210 HydrophobicContact CG1-CD1 4.32Å; V206-L210 WeakPolarHBondContact O-CG 3.22Å; V206-L210 PolarHBondContact O-N 2.9Å; S207-L210 PolarHBondContact O-N 2.81Å; L210-F212 VanDerWaalsContact C-N 3.34Å; L210-F212 PolarHBondContact O-N 3.32Å; L210-Y213 PolarHBondContact O-N 3.48Å; L210-N214 PolarHBondContact O-N 3.04Å; L210-N214 PolarHBondContact O-ND2 3.22Å |
| 211 | C | 84.1 | Confident | 76.5 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 3% | 0.027 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 175 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | Y135 S207 S208 I209 N214 L215 | Y135-C211 WeakPolarHBondContact CD1-SG 3.22Å; Y135-C211 WeakPolarHBondContact CE1-SG 3.45Å; S207-C211 WeakPolarHBondContact O-CB 3.45Å; S207-C211 PolarHBondContact O-N 3.38Å; S207-C211 PolarHBondContact O-SG 3.03Å; S208-C211 WeakPolarHBondContact O-CB 3.48Å; S208-C211 PolarHBondContact O-N 3.37Å; I209-C211 PolarHBondContact O-N 3.39Å; C211-N214 CarbonylContact O-C 3.57Å; C211-N214 PolarHBondContact O-N 2.94Å; C211-L215 WeakPolarHBondContact O-CG 3.23Å; C211-L215 PolarHBondContact O-N 2.96Å |
| 212 | F | 83.1 | Confident | 74 | Confident | 127 Ų | 127 | 72.5 Ų | 72.5 | 56% | 0.557 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 178.8 | -172.7 | -98.8 | 0 | 0 | 0 | 111.6 | S208 I209 L210 N214 L215 T216 | S208-F212 WeakPolarHBondContact O-CB 3.42Å; S208-F212 PolarHBondContact O-N 2.75Å; I209-F212 PolarHBondContact O-N 2.92Å; L210-F212 VanDerWaalsContact C-N 3.34Å; L210-F212 PolarHBondContact O-N 3.32Å; F212-N214 VanDerWaalsContact C-N 3.28Å; F212-N214 PolarHBondContact O-N 2.63Å; F212-L215 PolarHBondContact O-N 3.41Å; F212-T216 HydrophobicContact CD1-CG2 3.89Å; F212-T216 HydrophobicContact CD2-CG2 3.85Å; F212-T216 HydrophobicContact CE1-CG2 3.48Å; F212-T216 VanDerWaalsContact CE1-CG2 3.48Å; F212-T216 HydrophobicContact CE2-CG2 3.44Å; F212-T216 VanDerWaalsContact CE2-CG2 3.44Å; F212-T216 HydrophobicContact CG-CG2 4.08Å; F212-T216 HydrophobicContact CZ-CG2 3.26Å; F212-T216 WeakPolarHBondContact O-CB 3.28Å; F212-T216 PolarHBondContact O-N 3.27Å; F212-T216 PolarHBondContact O-OG1 3Å |
| 213 | Y | 80.8 | Confident | 71.6 | Confident | 141 Ų | 141 | 74.9 Ų | 74.9 | 55% | 0.553 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.6 | -37.4 | 173.9 | -82.3 | -64.1 | 0 | 0 | 0 | 112.5 | I209 L210 L215 T217 | I209-Y213 HydrophobicContact CG2-CD2 3.57Å; I209-Y213 HydrophobicContact CG2-CE2 3.34Å; I209-Y213 WeakPolarHBondContact O-CD2 3.39Å; I209-Y213 PolarHBondContact O-N 3.47Å; L210-Y213 PolarHBondContact O-N 3.48Å; Y213-L215 VanDerWaalsContact C-N 3.31Å; Y213-T217 WeakPolarHBondContact O-CB 3.44Å; Y213-T217 PolarHBondContact O-N 2.91Å; Y213-T217 PolarHBondContact O-OG1 2.93Å |
| 214 | N | 74.3 | Confident | 68.9 | Low | 29 Ų | 29 | 82 Ų | 82 | 16% | 0.155 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -71.8 | -23.2 | 175 | -74.4 | -79.7 | 0 | 0 | 0 | 112.9 | R68 L132 L210 C211 F212 | R68-N214 PolarHBondContact N-OD1 3.4Å; L132-N214 HydrophobicContact CD2-CB 4.33Å; L210-N214 PolarHBondContact O-N 3.04Å; L210-N214 PolarHBondContact O-ND2 3.22Å; C211-N214 CarbonylContact O-C 3.57Å; C211-N214 PolarHBondContact O-N 2.94Å; F212-N214 VanDerWaalsContact C-N 3.28Å; F212-N214 PolarHBondContact O-N 2.63Å |
| 215 | L | 73.4 | Confident | 66.6 | Low | 75 Ų | 75 | 84 Ų | 84 | 39% | 0.393 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -89.9 | -38.3 | 178.4 | -73.9 | 169.6 | 0 | 0 | 0 | 113.3 | L132 V133 A136 C211 F212 Y213 | L132-L215 HydrophobicContact CD2-CD2 3.55Å; L132-L215 HydrophobicContact CD2-CG 3.9Å; L132-L215 HydrophobicContact CG-CD2 4.06Å; L132-L215 HydrophobicContact CG-CG 4.33Å; V133-L215 HydrophobicContact CG2-CD2 4.42Å; A136-L215 HydrophobicContact CB-CD1 4.17Å; C211-L215 WeakPolarHBondContact O-CG 3.23Å; C211-L215 PolarHBondContact O-N 2.96Å; F212-L215 PolarHBondContact O-N 3.41Å; Y213-L215 VanDerWaalsContact C-N 3.31Å |
| 216 | T | 70.3 | Confident | 64 | Low | 67 Ų | 67 | 86.8 Ų | 86.8 | 41% | 0.411 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -93.8 | -20.1 | -172.7 | 55.2 | 0 | 0 | 0 | 0 | 114.3 | F212 P218 | F212-T216 HydrophobicContact CD1-CG2 3.89Å; F212-T216 HydrophobicContact CD2-CG2 3.85Å; F212-T216 HydrophobicContact CE1-CG2 3.48Å; F212-T216 VanDerWaalsContact CE1-CG2 3.48Å; F212-T216 HydrophobicContact CE2-CG2 3.44Å; F212-T216 VanDerWaalsContact CE2-CG2 3.44Å; F212-T216 HydrophobicContact CG-CG2 4.08Å; F212-T216 HydrophobicContact CZ-CG2 3.26Å; F212-T216 WeakPolarHBondContact O-CB 3.28Å; F212-T216 PolarHBondContact O-N 3.27Å; F212-T216 PolarHBondContact O-OG1 3Å; T216-P218 WeakPolarHBondContact O-CD 2.92Å |
| 217 | T | 57.5 | Low | 61.7 | Low | 50 Ų | 50 | 88.2 Ų | 88.2 | 31% | 0.307 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -74.2 | 114 | 176.4 | -45.8 | 0 | 0 | 0 | 0 | 108.8 | R68 Y213 | R68-T217 PolarHBondContact NH1-OG1 2.64Å; Y213-T217 WeakPolarHBondContact O-CB 3.44Å; Y213-T217 PolarHBondContact O-N 2.91Å; Y213-T217 PolarHBondContact O-OG1 2.93Å |
| 218 | P | 47.5 | Very low | 59.3 | Low | 86 Ų | 86 | 91.9 Ų | 91.9 | 56% | 0.558 | 45% | 0.451 | S | S | * | . | trans | -59.7 | 150.3 | 173.5 | 26.1 | -33.8 | 0 | 0 | 0 | 109.9 | T216 E220 | T216-P218 WeakPolarHBondContact O-CD 2.92Å; P218-E220 PolarHBondContact O-N 3.3Å | ||
| 219 | Q | 49.8 | Very low | 57.1 | Low | 100 Ų | 100 | 92.7 Ų | 92.7 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 24.8 | -172.1 | -155.2 | 161.2 | 87.7 | 0 | 0 | 115.9 | T246 | Q219-T246 PolarHBondContact NE2-O 2.92Š|
| 220 | E | 40.1 | Very low | 54.7 | Low | 161 Ų | 161 | 98.5 Ų | 98.5 | 75% | 0.752 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -6.2 | -163.2 | -68.6 | -172.6 | 160.8 | 0 | 0 | 114.8 | P218 L222 | P218-E220 PolarHBondContact O-N 3.3Å; E220-L222 PolarHBondContact O-N 3.05Å |
| 221 | E | 37.3 | Very low | 52.8 | Low | 145 Ų | 145 | 99.7 Ų | 99.7 | 68% | 0.678 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -85.4 | 72.1 | 163.9 | -77.7 | 179.8 | 169.6 | 0 | 0 | 110.1 | R68 H223 | R68-E221 IonicContact CZ-OE2 2.63Å; R68-E221 IonicContact NE-OE2 3.22Å; R68-E221 IonicContact NH2-OE2 3.64Å; R68-E221 PolarHBondContact NH2-OE2 3.49Å; E221-H223 VanDerWaalsContact C-N 3.35Å; E221-H223 PolarHBondContact O-N 3.04Å |
| 222 | L | 40 | Very low | 51.1 | Low | 100 Ų | 100 | 104.1 Ų | 104.1 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | trans | -29.7 | 86.3 | 159.6 | -133 | 78.9 | 0 | 0 | 0 | 112.2 | E220 R224 N243 | E220-L222 PolarHBondContact O-N 3.05Å; L222-R224 VanDerWaalsContact C-N 3.28Å; L222-R224 PolarHBondContact O-N 3.23Å; L222-N243 HydrophobicContact CD1-CB 4.35Å; L222-N243 VanDerWaalsContact CD1-OD1 3.28Å; L222-N243 WeakPolarHBondContact CD1-OD1 3.22Å; L222-N243 WeakPolarHBondContact CD2-OD1 3.32Å; L222-N243 WeakPolarHBondContact CG-OD1 3.48Å | ||
| 223 | H | 42.3 | Very low | 49.2 | Very low | 159 Ų | 159 | 106.9 Ų | 106.9 | 74% | 0.736 | 53% | 0.533 | S | S | * | . | trans | -68.9 | 97.1 | 163.1 | -97.6 | -39.8 | 0 | 0 | 0 | 106.8 | E221 G225 | E221-H223 VanDerWaalsContact C-N 3.35Å; E221-H223 PolarHBondContact O-N 3.04Å; H223-G225 PolarHBondContact O-N 3.15Å | ||
| 224 | R | 37.6 | Very low | 47.3 | Very low | 178 Ų | 178 | 102.1 Ų | 102.1 | 67% | 0.672 | 53% | 0.527 | S | S | * | . | trans | -52.2 | 88.5 | 164.5 | -90.4 | -179.9 | 170.5 | 166.9 | -2.5 | 108.5 | L222 | L222-R224 VanDerWaalsContact C-N 3.28Å; L222-R224 PolarHBondContact O-N 3.23Å | ||
| 225 | G | 41.7 | Very low | 45.8 | Very low | 42 Ų | 42 | 110.6 Ų | 110.6 | 43% | 0.433 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.7 | 131.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | H223 M242 | H223-G225 PolarHBondContact O-N 3.15Å; G225-M242 PolarHBondContact O-N 3.09Å |
| 226 | Y | 39.9 | Very low | 44.2 | Very low | 137 Ų | 137 | 113.7 Ų | 113.7 | 54% | 0.537 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 126 | 167.2 | -61.6 | -87.9 | 0 | 0 | 0 | 108.5 | L239 | Y226-L239 HydrophobicContact CD1-CB 3.8Å; Y226-L239 HydrophobicContact CD1-CD2 4.13Å; Y226-L239 HydrophobicContact CG-CB 4.32Å; Y226-L239 HydrophobicContact CG-CD2 3.78Å |
| 227 | Y | 42.3 | Very low | 43.1 | Very low | 99 Ų | 99 | 114.3 Ų | 114.3 | 39% | 0.388 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.5 | 136 | 167.7 | -155.5 | -87.3 | 0 | 0 | 0 | 109.4 | V22 S229 V238 L239 L240 | V22-Y227 PolarHBondContact O-OH 3.15Å; Y227-S229 PolarHBondContact O-N 3.36Å; Y227-V238 VanDerWaalsContact O-O 3.07Å; Y227-L239 WeakPolarHBondContact O-CA 3.41Å; Y227-L240 PolarHBondContact N-O 2.95Å; Y227-L240 PolarHBondContact O-N 3.18Å |
| 228 | V | 39.7 | Very low | 42.5 | Very low | 80 Ų | 80 | 114.9 Ų | 114.9 | 49% | 0.485 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 97.2 | 169.3 | 177.1 | 0 | 0 | 0 | 0 | 107.5 | T237 L239 | V228-T237 HydrophobicContact CG1-CG2 3.5Å; V228-T237 VanDerWaalsContact CG1-CG2 3.5Å; V228-L239 HydrophobicContact CG2-CD2 4.37Å |
| 229 | S | 42.8 | Very low | 42.4 | Very low | 48 Ų | 48 | 115.8 Ų | 115.8 | 34% | 0.336 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.3 | 121 | 170.1 | 175.1 | 0 | 0 | 0 | 0 | 108.9 | Y227 T237 V238 | Y227-S229 PolarHBondContact O-N 3.36Å; S229-T237 WeakPolarHBondContact O-CA 3.19Å; S229-V238 PolarHBondContact N-O 3.27Å; S229-V238 PolarHBondContact O-N 3.46Å |
| 230 | R | 39.8 | Very low | 42.2 | Very low | 202 Ų | 202 | 115.5 Ų | 115.5 | 76% | 0.762 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.7 | 123.8 | 161.7 | -76.3 | -173.5 | -177.6 | 179.2 | 3.6 | 107.8 | T237 | R230-T237 HydrophobicContact CG-CG2 4.15Å |
| 231 | T | 44.5 | Very low | 42.4 | Very low | 64 Ų | 64 | 112 Ų | 112 | 39% | 0.393 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 140.5 | 172.6 | 52.4 | 0 | 0 | 0 | 0 | 109.5 | H233 G234 | T231-H233 PolarHBondContact O-N 2.86Å; T231-G234 PolarHBondContact O-N 2.78Å; T231-G234 WeakPolarHBondContact OG1-CA 3.39Å; T231-G234 PolarHBondContact OG1-N 3.14Å; T231-G234 PolarHBondContact OG1-O 2.81Å |
| 232 | A | 49.5 | Very low | 43.1 | Very low | 97 Ų | 97 | 106.4 Ų | 106.4 | 80% | 0.802 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -17.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 233 | H | 41.7 | Very low | 43.2 | Very low | 185 Ų | 185 | 103.4 Ų | 103.4 | 86% | 0.856 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.5 | 71.9 | 176.3 | -63.5 | 81.4 | 0 | 0 | 0 | 108.8 | T231 | T231-H233 PolarHBondContact O-N 2.86Š|
| 234 | G | 41.2 | Very low | 43.4 | Very low | 40 Ų | 40 | 98.8 Ų | 98.8 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | trans | 163.4 | 137.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T231 Q236 | T231-G234 PolarHBondContact O-N 2.78Å; T231-G234 WeakPolarHBondContact OG1-CA 3.39Å; T231-G234 PolarHBondContact OG1-N 3.14Å; T231-G234 PolarHBondContact OG1-O 2.81Å; G234-Q236 PolarHBondContact O-N 2.94Å | ||
| 235 | H | 43.7 | Very low | 43.8 | Very low | 207 Ų | 207 | 96.6 Ų | 96.6 | 96% | 0.958 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -70.1 | 12.5 | 172.8 | -80.1 | -70.3 | 0 | 0 | 0 | 114 | T237 | H235-T237 PolarHBondContact O-N 3.48Š|
| 236 | Q | 38.9 | Very low | 44.1 | Very low | 141 Ų | 141 | 96.1 Ų | 96.1 | 66% | 0.659 | 50% | 0.498 | S | S | * | . | trans | -91.1 | 104.7 | -173.3 | -158.6 | 169.8 | 11.5 | 0 | 0 | 110.1 | G234 V238 | G234-Q236 PolarHBondContact O-N 2.94Å; Q236-V238 HydrophobicContact CG-CG2 4.15Å; Q236-V238 PolarHBondContact O-N 2.9Å | ||
| 237 | T | 47.8 | Very low | 44.4 | Very low | 80 Ų | 80 | 91.6 Ų | 91.6 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 107.1 | 167 | 46.7 | 0 | 0 | 0 | 0 | 108.9 | V228 S229 R230 H235 | V228-T237 HydrophobicContact CG1-CG2 3.5Å; V228-T237 VanDerWaalsContact CG1-CG2 3.5Å; S229-T237 WeakPolarHBondContact O-CA 3.19Å; R230-T237 HydrophobicContact CG-CG2 4.15Å; H235-T237 PolarHBondContact O-N 3.48Å |
| 238 | V | 45.5 | Very low | 44.4 | Very low | 62 Ų | 62 | 88 Ų | 88 | 38% | 0.376 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 122.9 | 174.2 | -171.6 | 0 | 0 | 0 | 0 | 108.6 | Y227 S229 Q236 L240 | Y227-V238 VanDerWaalsContact O-O 3.07Å; S229-V238 PolarHBondContact N-O 3.27Å; S229-V238 PolarHBondContact O-N 3.46Å; Q236-V238 HydrophobicContact CG-CG2 4.15Å; Q236-V238 PolarHBondContact O-N 2.9Å; V238-L240 HydrophobicContact CB-CD1 3.87Å; V238-L240 HydrophobicContact CG1-CD1 3.57Å; V238-L240 HydrophobicContact CG1-CG 4.49Å; V238-L240 PolarHBondContact O-N 3.31Å |
| 239 | L | 44.3 | Very low | 44.8 | Very low | 105 Ų | 105 | 88.2 Ų | 88.2 | 55% | 0.55 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 102.2 | 171.7 | -74.3 | 145.9 | 0 | 0 | 0 | 108.1 | Y226 Y227 V228 | Y226-L239 HydrophobicContact CD1-CB 3.8Å; Y226-L239 HydrophobicContact CD1-CD2 4.13Å; Y226-L239 HydrophobicContact CG-CB 4.32Å; Y226-L239 HydrophobicContact CG-CD2 3.78Å; Y227-L239 WeakPolarHBondContact O-CA 3.41Å; V228-L239 HydrophobicContact CG2-CD2 4.37Å |
| 240 | L | 46.6 | Very low | 45.2 | Very low | 93 Ų | 93 | 90.2 Ų | 90.2 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 127.6 | 173.4 | -82.7 | 86.4 | 0 | 0 | 0 | 109.9 | Y227 V238 | Y227-L240 PolarHBondContact N-O 2.95Å; Y227-L240 PolarHBondContact O-N 3.18Å; V238-L240 HydrophobicContact CB-CD1 3.87Å; V238-L240 HydrophobicContact CG1-CD1 3.57Å; V238-L240 HydrophobicContact CG1-CG 4.49Å; V238-L240 PolarHBondContact O-N 3.31Å |
| 241 | P | 44.1 | Very low | 45.9 | Very low | 89 Ų | 89 | 84 Ų | 84 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 133.4 | 170.3 | 29.8 | -32.2 | 0 | 0 | 0 | 108.5 | ||
| 242 | M | 51 | Low | 46.6 | Very low | 26 Ų | 26 | 85.5 Ų | 85.5 | 13% | 0.128 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.5 | -176.8 | -166.2 | 167.2 | 179.6 | 0 | 0 | 111.9 | R58 I60 G225 | R58-M242 HydrophobicContact CB-CE 4.45Å; R58-M242 WeakPolarHBondContact O-CE 3.42Å; R58-M242 VanDerWaalsContact O-CG 3.28Å; R58-M242 WeakPolarHBondContact O-CG 3.42Å; I60-M242 HydrophobicContact CB-CE 3.4Å; I60-M242 HydrophobicContact CD1-CE 3.34Å; I60-M242 HydrophobicContact CD1-SD 3.79Å; I60-M242 HydrophobicContact CG1-CE 3.16Å; I60-M242 HydrophobicContact CG1-SD 4.28Å; G225-M242 PolarHBondContact O-N 3.09Å |
| 243 | N | 42.7 | Very low | 46.9 | Very low | 37 Ų | 37 | 83.3 Ų | 83.3 | 20% | 0.198 | 47% | 0.467 | C | S | . | . | trans | -90.7 | 103.3 | 170.4 | -79.2 | -7 | 0 | 0 | 0 | 109 | E57 S59 L222 R245 | E57-N243 HydrophobicContact CG-CB 4.03Å; E57-N243 PolarHBondContact OE1-ND2 2.81Å; S59-N243 VanDerWaalsContact CA-O 3.32Å; S59-N243 WeakPolarHBondContact CA-O 3.34Å; S59-N243 WeakPolarHBondContact CB-O 3.23Å; L222-N243 HydrophobicContact CD1-CB 4.35Å; L222-N243 VanDerWaalsContact CD1-OD1 3.28Å; L222-N243 WeakPolarHBondContact CD1-OD1 3.22Å; L222-N243 WeakPolarHBondContact CD2-OD1 3.32Å; L222-N243 WeakPolarHBondContact CG-OD1 3.48Å; N243-R245 PolarHBondContact O-N 2.9Å | ||
| 244 | V | 47.3 | Very low | 47.7 | Very low | 63 Ų | 63 | 81.2 Ų | 81.2 | 38% | 0.382 | 46% | 0.457 | S | S | . | . | trans | -83.6 | 102.7 | 173.4 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | T62 | T62-V244 WeakPolarHBondContact OG1-CG1 3.43Š| ||
| 245 | R | 45 | Very low | 48.8 | Very low | 132 Ų | 132 | 88.5 Ų | 88.5 | 50% | 0.498 | 47% | 0.472 | S | S | . | . | trans | -86.8 | 133.9 | 166.7 | -74.5 | -176.6 | 170.8 | 116.4 | 0.5 | 109.1 | E57 M61 N243 | E57-R245 IonicContact OE2-CZ 3.45Å; E57-R245 IonicContact OE2-NH1 2.72Å; E57-R245 PolarHBondContact OE2-NH1 3.45Å; E57-R245 IonicContact OE2-NH2 3.52Å; M61-R245 VanDerWaalsContact CA-O 3.3Å; M61-R245 WeakPolarHBondContact CA-O 3.12Å; M61-R245 WeakPolarHBondContact CG-O 3.06Å; N243-R245 PolarHBondContact O-N 2.9Å | ||
| 246 | T | 47.9 | Very low | 49.7 | Very low | 31 Ų | 31 | 83.1 Ų | 83.1 | 19% | 0.19 | 45% | 0.45 | C | S | . | . | trans | -115.5 | 65.4 | -173.7 | -30.1 | 0 | 0 | 0 | 0 | 109.4 | T62 T64 Q219 | T62-T246 WeakPolarHBondContact O-CG2 3.49Å; T64-T246 WeakPolarHBondContact O-CG2 3.29Å; Q219-T246 PolarHBondContact NE2-O 2.92Å | ||
| 247 | G | 47 | Very low | 51 | Low | 43 Ų | 43 | 82.1 Ų | 82.1 | 44% | 0.443 | 45% | 0.449 | S | S | . | . | trans | -148.8 | -10.6 | -159.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 248 | A | 41 | Very low | 52 | Low | 24 Ų | 24 | 80.9 Ų | 80.9 | 20% | 0.198 | 45% | 0.447 | C | S | . | . | trans | -87.1 | 130.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M61 E252 T253 | M61-A248 HydrophobicContact CE-CB 3.37Å; M61-A248 HydrophobicContact SD-CB 3.44Å; M61-A248 WeakPolarHBondContact SD-CB 3.48Å; A248-E252 WeakPolarHBondContact CA-OE2 3.41Å; A248-E252 HydrophobicContact CB-CB 3.66Å; A248-T253 HydrophobicContact CB-CG2 4.34Å | ||
| 249 | T | 48.2 | Very low | 53 | Low | 83 Ų | 83 | 83.8 Ų | 83.8 | 51% | 0.509 | 46% | 0.458 | S | S | . | . | trans | -55.4 | 148.8 | 160.6 | 53.9 | 0 | 0 | 0 | 0 | 109.7 | S251 E252 T253 | T249-S251 PolarHBondContact O-N 3.02Å; T249-S251 PolarHBondContact OG1-OG 3.48Å; T249-E252 PolarHBondContact N-OE2 3.27Å; T249-E252 PolarHBondContact O-N 3.46Å; T249-E252 PolarHBondContact OG1-OE2 3.45Å; T249-E252 VanDerWaalsContact OG1-OE2 3.09Å; T249-T253 PolarHBondContact O-N 3Å; T249-T253 PolarHBondContact O-OG1 3.29Å | ||
| 250 | S | 51.5 | Low | 53.9 | Low | 91 Ų | 91 | 81.5 Ų | 81.5 | 64% | 0.636 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -45.6 | -35.8 | -177.4 | -169.5 | 0 | 0 | 0 | 0 | 113.6 | T253 E254 | S250-T253 WeakPolarHBondContact CA-OG1 3.47Å; S250-T253 PolarHBondContact O-OG1 3.03Å; S250-E254 PolarHBondContact O-N 2.97Å |
| 251 | S | 55.4 | Low | 54.8 | Low | 70 Ų | 70 | 82.8 Ų | 82.8 | 49% | 0.49 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.9 | -30 | 177.7 | 46.8 | 0 | 0 | 0 | 0 | 115.2 | T249 R255 | T249-S251 PolarHBondContact O-N 3.02Å; T249-S251 PolarHBondContact OG1-OG 3.48Å; S251-R255 WeakPolarHBondContact O-CB 3.25Å; S251-R255 WeakPolarHBondContact O-CG 3.4Å; S251-R255 PolarHBondContact O-N 3.37Å |
| 252 | E | 58.5 | Low | 55.6 | Low | 96 Ų | 96 | 85.1 Ų | 85.1 | 45% | 0.449 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -79.3 | -36.2 | 177.3 | -75.7 | 172.5 | 139.9 | 0 | 0 | 111.3 | A248 T249 R255 L256 | A248-E252 WeakPolarHBondContact CA-OE2 3.41Å; A248-E252 HydrophobicContact CB-CB 3.66Å; T249-E252 PolarHBondContact N-OE2 3.27Å; T249-E252 PolarHBondContact O-N 3.46Å; T249-E252 PolarHBondContact OG1-OE2 3.45Å; T249-E252 VanDerWaalsContact OG1-OE2 3.09Å; E252-R255 PolarHBondContact O-N 3.14Å; E252-L256 WeakPolarHBondContact O-CB 3.43Å; E252-L256 VanDerWaalsContact O-CG 3.31Å; E252-L256 WeakPolarHBondContact O-CG 3.28Å; E252-L256 PolarHBondContact O-N 2.99Å |
| 253 | T | 56.1 | Low | 55.9 | Low | 52 Ų | 52 | 89 Ų | 89 | 32% | 0.319 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 172.8 | 14.8 | 0 | 0 | 0 | 0 | 112 | M61 A248 T249 S250 R255 L256 L257 | M61-T253 HydrophobicContact CB-CG2 4.49Å; A248-T253 HydrophobicContact CB-CG2 4.34Å; T249-T253 PolarHBondContact O-N 3Å; T249-T253 PolarHBondContact O-OG1 3.29Å; S250-T253 WeakPolarHBondContact CA-OG1 3.47Å; S250-T253 PolarHBondContact O-OG1 3.03Å; T253-R255 VanDerWaalsContact C-N 3.34Å; T253-R255 PolarHBondContact O-N 2.99Å; T253-L256 PolarHBondContact O-N 3.27Å; T253-L257 WeakPolarHBondContact O-CB 3.46Å; T253-L257 PolarHBondContact O-N 2.65Å |
| 254 | E | 58 | Low | 56.3 | Low | 140 Ų | 140 | 90.4 Ų | 90.4 | 65% | 0.654 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 177 | -73.8 | -179.5 | 167.7 | 0 | 0 | 111.9 | S250 L257 A258 | S250-E254 PolarHBondContact O-N 2.97Å; E254-L257 PolarHBondContact O-N 3.49Å; E254-A258 WeakPolarHBondContact O-CB 3.27Å; E254-A258 PolarHBondContact O-N 3.23Å |
| 255 | R | 63.5 | Low | 56.4 | Low | 193 Ų | 193 | 94 Ų | 94 | 73% | 0.728 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64 | -43.3 | 176.1 | -84.4 | -178.1 | 158.8 | 177.3 | -4.2 | 112.9 | S251 E252 T253 M259 | S251-R255 WeakPolarHBondContact O-CB 3.25Å; S251-R255 WeakPolarHBondContact O-CG 3.4Å; S251-R255 PolarHBondContact O-N 3.37Å; E252-R255 PolarHBondContact O-N 3.14Å; T253-R255 VanDerWaalsContact C-N 3.34Å; T253-R255 PolarHBondContact O-N 2.99Å; R255-M259 WeakPolarHBondContact O-CB 3.27Å; R255-M259 VanDerWaalsContact O-CG 3.28Å; R255-M259 WeakPolarHBondContact O-CG 3.02Å; R255-M259 PolarHBondContact O-N 3.47Å |
| 256 | L | 62.7 | Low | 56.8 | Low | 94 Ų | 94 | 93.5 Ų | 93.5 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71 | -34.4 | 179.4 | -71.6 | 171.8 | 0 | 0 | 0 | 112 | M61 E252 T253 M259 A260 | M61-L256 HydrophobicContact SD-CD1 4.26Å; E252-L256 WeakPolarHBondContact O-CB 3.43Å; E252-L256 VanDerWaalsContact O-CG 3.31Å; E252-L256 WeakPolarHBondContact O-CG 3.28Å; E252-L256 PolarHBondContact O-N 2.99Å; T253-L256 PolarHBondContact O-N 3.27Å; L256-M259 PolarHBondContact O-N 3.41Å; L256-A260 WeakPolarHBondContact O-CB 3.07Å; L256-A260 PolarHBondContact O-N 2.51Å |
| 257 | L | 66.1 | Low | 56.9 | Low | 121 Ų | 121 | 95.2 Ų | 95.2 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.3 | -42.6 | 175.3 | -141.1 | 132.3 | 0 | 0 | 0 | 111 | T253 E254 M259 A260 E261 | T253-L257 WeakPolarHBondContact O-CB 3.46Å; T253-L257 PolarHBondContact O-N 2.65Å; E254-L257 PolarHBondContact O-N 3.49Å; L257-M259 VanDerWaalsContact C-N 3.34Å; L257-M259 PolarHBondContact O-N 2.99Å; L257-A260 PolarHBondContact O-N 3.4Å; L257-E261 WeakPolarHBondContact O-CB 3.48Å; L257-E261 PolarHBondContact O-N 3.45Å |
| 258 | A | 68.8 | Low | 56.8 | Low | 54 Ų | 54 | 100 Ų | 100 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E254 Q262 | E254-A258 WeakPolarHBondContact O-CB 3.27Å; E254-A258 PolarHBondContact O-N 3.23Å; A258-Q262 WeakPolarHBondContact O-CB 3.15Å; A258-Q262 PolarHBondContact O-N 2.89Å |
| 259 | M | 67.6 | Low | 57 | Low | 123 Ų | 123 | 108 Ų | 108 | 61% | 0.606 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.1 | -41.8 | 174.8 | -77.1 | -179.8 | 155.9 | 0 | 0 | 112.4 | R255 L256 L257 Q262 Q263 | R255-M259 WeakPolarHBondContact O-CB 3.27Å; R255-M259 VanDerWaalsContact O-CG 3.28Å; R255-M259 WeakPolarHBondContact O-CG 3.02Å; R255-M259 PolarHBondContact O-N 3.47Å; L256-M259 PolarHBondContact O-N 3.41Å; L257-M259 VanDerWaalsContact C-N 3.34Å; L257-M259 PolarHBondContact O-N 2.99Å; M259-Q262 PolarHBondContact O-N 2.85Å; M259-Q263 WeakPolarHBondContact O-CB 3.32Å; M259-Q263 PolarHBondContact O-N 3.12Å |
| 260 | A | 63.2 | Low | 56.7 | Low | 56 Ų | 56 | 107.3 Ų | 107.3 | 46% | 0.463 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.4 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L256 L257 Q263 S264 | L256-A260 WeakPolarHBondContact O-CB 3.07Å; L256-A260 PolarHBondContact O-N 2.51Å; L257-A260 PolarHBondContact O-N 3.4Å; A260-Q263 PolarHBondContact O-N 3.49Å; A260-S264 PolarHBondContact O-N 2.7Å |
| 261 | E | 64.6 | Low | 56.2 | Low | 121 Ų | 121 | 108.9 Ų | 108.9 | 57% | 0.565 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66 | -42.8 | 176.8 | -163.9 | 166.5 | -161.2 | 0 | 0 | 111 | L257 Q263 S264 H265 | L257-E261 WeakPolarHBondContact O-CB 3.48Å; L257-E261 PolarHBondContact O-N 3.45Å; E261-Q263 VanDerWaalsContact C-N 3.32Å; E261-Q263 PolarHBondContact O-N 3.05Å; E261-S264 PolarHBondContact O-N 2.76Å; E261-S264 PolarHBondContact O-OG 3.29Å; E261-H265 PolarHBondContact O-N 3.45Å |
| 262 | Q | 60.4 | Low | 55.2 | Low | 137 Ų | 137 | 114.3 Ų | 114.3 | 64% | 0.64 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.4 | -35.5 | 176.2 | -156.9 | 171.7 | 9.6 | 0 | 0 | 112.2 | A258 M259 I266 | A258-Q262 WeakPolarHBondContact O-CB 3.15Å; A258-Q262 PolarHBondContact O-N 2.89Å; M259-Q262 PolarHBondContact O-N 2.85Å; Q262-I266 WeakPolarHBondContact O-CD1 3.43Å; Q262-I266 WeakPolarHBondContact O-CG1 3.45Å; Q262-I266 PolarHBondContact O-N 2.81Å |
| 263 | Q | 58.6 | Low | 54.1 | Low | 109 Ų | 109 | 116.1 Ų | 116.1 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -75.8 | -30.3 | 178.1 | -144.4 | 163.5 | 12.3 | 0 | 0 | 112.7 | M259 A260 E261 I266 A267 | M259-Q263 WeakPolarHBondContact O-CB 3.32Å; M259-Q263 PolarHBondContact O-N 3.12Å; A260-Q263 PolarHBondContact O-N 3.49Å; E261-Q263 VanDerWaalsContact C-N 3.32Å; E261-Q263 PolarHBondContact O-N 3.05Å; Q263-I266 PolarHBondContact O-N 2.84Å; Q263-A267 PolarHBondContact O-N 3.46Å |
| 264 | S | 49.9 | Very low | 53 | Low | 65 Ų | 65 | 120.9 Ų | 120.9 | 46% | 0.455 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -66.4 | -36.3 | 173.7 | 83.5 | 0 | 0 | 0 | 0 | 112.7 | A260 E261 I266 A267 N268 | A260-S264 PolarHBondContact O-N 2.7Å; E261-S264 PolarHBondContact O-N 2.76Å; E261-S264 PolarHBondContact O-OG 3.29Å; S264-I266 VanDerWaalsContact C-N 3.28Å; S264-I266 PolarHBondContact O-N 3.15Å; S264-A267 PolarHBondContact O-N 2.99Å; S264-N268 PolarHBondContact O-N 2.88Å |
| 265 | H | 50.9 | Low | 51.7 | Low | 138 Ų | 138 | 121.9 Ų | 121.9 | 64% | 0.639 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.9 | -25.7 | 175.5 | -99 | -72.1 | 0 | 0 | 0 | 113.3 | E261 | E261-H265 PolarHBondContact O-N 3.45Å |
| 266 | I | 53.4 | Low | 50.7 | Low | 122 Ų | 122 | 120.5 Ų | 120.5 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -82.8 | -38.9 | 177.2 | -62.9 | 166.1 | 0 | 0 | 0 | 110.6 | Q262 Q263 S264 | Q262-I266 WeakPolarHBondContact O-CD1 3.43Å; Q262-I266 WeakPolarHBondContact O-CG1 3.45Å; Q262-I266 PolarHBondContact O-N 2.81Å; Q263-I266 PolarHBondContact O-N 2.84Å; S264-I266 VanDerWaalsContact C-N 3.28Å; S264-I266 PolarHBondContact O-N 3.15Å |
| 267 | A | 50.4 | Low | 49.6 | Very low | 67 Ų | 67 | 122.9 Ų | 122.9 | 55% | 0.554 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.1 | -33.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q263 S264 K269 G270 | Q263-A267 PolarHBondContact O-N 3.46Å; S264-A267 PolarHBondContact O-N 2.99Å; A267-K269 PolarHBondContact O-N 2.96Å; A267-G270 PolarHBondContact O-N 3.33Å |
| 268 | N | 44.2 | Very low | 48.1 | Very low | 145 Ų | 145 | 122.2 Ų | 122.2 | 78% | 0.775 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -6.9 | -177.4 | -140.7 | 13.8 | 0 | 0 | 0 | 114.2 | S264 | S264-N268 PolarHBondContact O-N 2.88Š|
| 269 | K | 45.4 | Very low | 46.6 | Very low | 192 Ų | 192 | 128.5 Ų | 128.5 | 84% | 0.835 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -6.6 | 173.1 | -78.6 | -174.3 | 173.5 | -174 | 0 | 113.8 | A267 | A267-K269 PolarHBondContact O-N 2.96Š|
| 270 | G | 42.3 | Very low | 45.3 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -102.6 | 7.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | A267 | A267-G270 PolarHBondContact O-N 3.33Š|
| 271 | T | 40.1 | Very low | 44.1 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | trans | -129.5 | 28.3 | -165.2 | -29.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 272 | Q | 35.1 | Very low | 42.9 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -127.3 | 97 | 167.6 | -79.7 | -171.8 | 6.2 | 0 | 0 | 110.3 | ||||
| 273 | T | 34.1 | Very low | 42 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -179.7 | 145.3 | 146.3 | 33.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 274 | N | 33.2 | Very low | 41.3 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 98.1 | 74.9 | 173.3 | -52.8 | -21.8 | 0 | 0 | 0 | 116.9 | ||||
| 275 | N | 32.3 | Very low | 41.1 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -170.1 | 88.5 | 141 | -114 | -16 | 0 | 0 | 0 | 111 | ||||
| 276 | I | 42.2 | Very low | 41.1 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -143.2 | 95 | 151.1 | -56.8 | -175.4 | 0 | 0 | 0 | 108.7 | ||||
| 277 | D | 38.8 | Very low | 40.5 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | 52.6 | 104.1 | 135.4 | -66.4 | -44.2 | 0 | 0 | 0 | 121.2 | K279 | D277-K279 PolarHBondContact O-N 3.25Š| ||
| 278 | S | 33.8 | Very low | 40 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -59 | 117.2 | 140.1 | 67.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 279 | K | 38.8 | Very low | 39.8 | Very low | 185 Ų | 185 | 148.7 Ų | 148.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 172.4 | 143.8 | 141.9 | -101.7 | 164.9 | -173.2 | 178.2 | 0 | 111.4 | D277 | D277-K279 PolarHBondContact O-N 3.25Š| ||
| 280 | I | 39.7 | Very low | 39.5 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | trans | 86.3 | 90.5 | 156.5 | -57 | 146.7 | 0 | 0 | 0 | 113.6 | ||||
| 281 | V | 38.7 | Very low | 39.4 | Very low | 110 Ų | 110 | 150.8 Ų | 150.8 | 67% | 0.667 | 82% | 0.818 | S | S | * | * | 74.6 | 116.1 | 78.4 | 171.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 282 | K | 38.1 | Very low | 39.3 | Very low | 176 Ų | 176 | 152.4 Ų | 152.4 | 77% | 0.765 | 82% | 0.822 | S | S | * | * | trans | 64.9 | 110.4 | 150.9 | -71.3 | 170.4 | -172.5 | 179.5 | 0 | 117.4 | ||||
| 283 | N | 42.3 | Very low | 39.6 | Very low | 152 Ų | 152 | 150.4 Ų | 150.4 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | 168.1 | 146.8 | 93.5 | -90.8 | -32.8 | 0 | 0 | 0 | 112.7 | |||||
| 284 | A | 43.2 | Very low | 40 | Very low | 97 Ų | 97 | 151.5 Ų | 151.5 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | 72.7 | 106.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 285 | A | 46.4 | Very low | 40.5 | Very low | 90 Ų | 90 | 151.4 Ų | 151.4 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 158.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 286 | P | 50 | Low | 41.1 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 141.8 | 160.9 | 34 | -27.8 | 0 | 0 | 0 | 110.9 | ||
| 287 | F | 42.5 | Very low | 41 | Very low | 204 Ų | 204 | 149.6 Ų | 149.6 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 143.4 | 176.4 | -84.5 | -105.5 | 0 | 0 | 0 | 114.4 | ||
| 288 | H | 39.8 | Very low | 41.2 | Very low | 256 Ų | 256 | 150.2 Ų | 150.2 | 100% | 1.185 | 82% | 0.819 | S | S | * | * | trans | -126.6 | 0 | 132.4 | -130.2 | -55 | 0 | 0 | 0 | 108.5 |
Retrieved 288 of 288 residues in 532.3 ms
(Link to these results)