| 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 | 53.7 | Low | 45.3 | Very low | 242 Ų | 242 | 147.5 Ų | 147.5 | 100% | 1.192 | 83% | 0.826 | S | S | * | * | 0 | 78.9 | 0 | -57.2 | -73.1 | -86.7 | 0 | 0 | 105.5 | |||||
| 2 | G | 50.7 | Low | 44.6 | Very low | 71 Ų | 71 | 145.2 Ų | 145.2 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | 78.2 | 122.1 | 78.1 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 3 | C | 47.7 | Very low | 44.1 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | cis | -159.9 | 149.3 | 25.1 | -68.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 4 | C | 50.7 | Low | 43.6 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 86% | 0.858 | 83% | 0.83 | S | S | * | * | trans | -71.7 | 148.1 | 156.6 | -53.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 5 | Y | 44.8 | Very low | 43 | Very low | 206 Ų | 206 | 148.2 Ų | 148.2 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | trans | -130.4 | 104.1 | 166 | -163.1 | -102.6 | 0 | 0 | 0 | 109.3 | S7 | Y5-S7 WeakPolarHBondContact CE1-OG 3.3Å; Y5-S7 PolarHBondContact OH-OG 3.33Å | ||
| 6 | S | 51.5 | Low | 42.8 | Very low | 115 Ų | 115 | 154.3 Ų | 154.3 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -96.2 | 135.4 | 158.5 | -64.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 7 | S | 44.9 | Very low | 42.8 | Very low | 81 Ų | 81 | 155.7 Ų | 155.7 | 57% | 0.566 | 83% | 0.831 | S | S | * | * | trans | -132.2 | 108.6 | 156.6 | -68.9 | 0 | 0 | 0 | 0 | 107.6 | Y5 | Y5-S7 WeakPolarHBondContact CE1-OG 3.3Å; Y5-S7 PolarHBondContact OH-OG 3.33Å | ||
| 8 | E | 39.1 | Very low | 42.7 | Very low | 172 Ų | 172 | 157.2 Ų | 157.2 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -54.7 | 139.6 | 159.5 | 58.1 | -164.6 | 88.6 | 0 | 0 | 110.7 | ||||
| 9 | N | 38.9 | Very low | 43.1 | Very low | 167 Ų | 167 | 162.1 Ų | 162.1 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | -147.2 | 108.8 | 153 | -140 | 90.6 | 0 | 0 | 0 | 107 | ||||
| 10 | E | 40.5 | Very low | 43.1 | Very low | 176 Ų | 176 | 162.9 Ų | 162.9 | 82% | 0.822 | 84% | 0.835 | S | S | * | * | trans | -81.6 | 152.2 | 176.3 | -62.3 | -159.9 | 125.1 | 0 | 0 | 111.7 | ||||
| 11 | D | 35.2 | Very low | 43.2 | Very low | 134 Ų | 134 | 162.1 Ų | 162.1 | 72% | 0.717 | 83% | 0.831 | S | S | * | * | trans | 81 | 111.1 | 147.2 | -152.2 | 28.2 | 0 | 0 | 0 | 121.2 | ||||
| 12 | S | 37.4 | Very low | 42.6 | Very low | 120 Ų | 120 | 157.3 Ų | 157.3 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | -165.8 | 115.1 | 129.3 | -81.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 13 | D | 37.9 | Very low | 42.5 | Very low | 147 Ų | 147 | 161 Ų | 161 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -45.7 | 126.2 | 167.5 | -78 | -61.8 | 0 | 0 | 0 | 115.6 | ||||
| 14 | Q | 37.7 | Very low | 42 | Very low | 195 Ų | 195 | 161.8 Ų | 161.8 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -179.9 | 102.2 | 145.8 | -108.2 | 169 | 26 | 0 | 0 | 105.4 | ||||
| 15 | D | 33.8 | Very low | 42 | Very low | 139 Ų | 139 | 160.2 Ų | 160.2 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | -166.8 | 114.3 | 81.6 | -166.8 | -7.9 | 0 | 0 | 0 | 108.7 | |||||
| 16 | R | 39.5 | Very low | 41.4 | Very low | 246 Ų | 246 | 156.1 Ų | 156.1 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | trans | -110.1 | 46.4 | -174 | -170.5 | -163.8 | 165.6 | -166.5 | -3.6 | 109.1 | ||||
| 17 | E | 43 | Very low | 40.8 | Very low | 178 Ų | 178 | 155.8 Ų | 155.8 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -131.1 | 26.9 | -171.7 | -63.7 | -124.6 | 109 | 0 | 0 | 116.8 | ||||
| 18 | E | 42.5 | Very low | 41 | Very low | 182 Ų | 182 | 157.7 Ų | 157.7 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -138.2 | 19.2 | 169.1 | 67.9 | -175.8 | 127.2 | 0 | 0 | 117.6 | K20 | E18-K20 PolarHBondContact O-N 3.24Š| ||
| 19 | R | 48.5 | Very low | 41.6 | Very low | 251 Ų | 251 | 155 Ų | 155 | 95% | 0.947 | 80% | 0.803 | S | S | * | * | trans | -74.9 | 74 | 160.7 | -67.7 | -171.9 | -173 | 164.8 | 4.6 | 110.8 | ||||
| 20 | K | 43.6 | Very low | 41.7 | Very low | 178 Ų | 178 | 154 Ų | 154 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | trans | -99.4 | 80.9 | 165.3 | -153.3 | -179.3 | -175.6 | -161.3 | 0 | 110.5 | E18 L22 | E18-K20 PolarHBondContact O-N 3.24Å; K20-L22 PolarHBondContact O-N 3.36Å | ||
| 21 | L | 44.9 | Very low | 42.1 | Very low | 146 Ų | 146 | 155.7 Ų | 155.7 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | -65.6 | 117.3 | 157.2 | -81.1 | 159.4 | 0 | 0 | 0 | 108.8 | ||||
| 22 | L | 41.8 | Very low | 42.2 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -137.7 | 89.6 | 153.2 | -76.6 | 176.4 | 0 | 0 | 0 | 108.4 | K20 | K20-L22 PolarHBondContact O-N 3.36Š| ||
| 23 | L | 49.1 | Very low | 42.7 | Very low | 150 Ų | 150 | 155.3 Ų | 155.3 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -61.6 | 135.3 | 144.4 | -66.8 | 155.8 | 0 | 0 | 0 | 106.2 | ||||
| 24 | D | 37.6 | Very low | 42.9 | Very low | 146 Ų | 146 | 155.7 Ų | 155.7 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | 162.4 | 179.8 | 87.7 | -155.8 | 22.7 | 0 | 0 | 0 | 107.2 | |||||
| 25 | P | 48.9 | Very low | 43.2 | Very low | 95 Ų | 95 | 150.1 Ų | 150.1 | 62% | 0.617 | 81% | 0.805 | S | S | * | * | cis | -128.9 | 173.5 | -26.1 | 12.5 | 13 | 0 | 0 | 0 | 114.2 | ||||
| 26 | S | 32.1 | Very low | 43.8 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | 118.2 | 114.4 | 145.1 | 87.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 27 | S | 40.6 | Very low | 44.2 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -100.9 | 164.7 | 154.2 | 61.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 28 | P | 47.8 | Very low | 44.6 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | -146.4 | 176.1 | 92.4 | 36.6 | -16.7 | 0 | 0 | 0 | 114.3 | |||||
| 29 | P | 52.8 | Low | 45.3 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -99.2 | 151.3 | -151.5 | 37.8 | -32 | 0 | 0 | 0 | 113.2 | ||||
| 30 | T | 39.6 | Very low | 45.3 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -143.3 | 115 | 159.2 | 38.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 31 | K | 49.8 | Very low | 45.8 | Very low | 213 Ų | 213 | 133 Ų | 133 | 93% | 0.926 | 77% | 0.766 | S | S | * | * | trans | -70.6 | 129.2 | 155.9 | -69.4 | -175.5 | 176 | -176.2 | 0 | 108 | ||||
| 32 | A | 38.4 | Very low | 46.3 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -134.9 | 97.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 33 | L | 46.9 | Very low | 46.7 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | 44 | 98.5 | 85.2 | -165.1 | 68.2 | 0 | 0 | 0 | 112.9 | |||||
| 34 | N | 42.1 | Very low | 47 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | 30.9 | 123 | 148.9 | -65.5 | -41.9 | 0 | 0 | 0 | 119 | ||||
| 35 | G | 44.6 | Very low | 47.9 | Very low | 78 Ų | 78 | 125.5 Ų | 125.5 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | 164.5 | 106.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 36 | A | 44.8 | Very low | 48.1 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | 72.8 | 91.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 37 | E | 48.7 | Very low | 49.5 | Very low | 180 Ų | 180 | 126.2 Ų | 126.2 | 84% | 0.841 | 73% | 0.733 | S | S | * | * | trans | -60.9 | 126.6 | 151 | -66.6 | -76.5 | 109.7 | 0 | 0 | 109.6 | N39 | E37-N39 PolarHBondContact O-N 2.86Š| ||
| 38 | P | 51.2 | Low | 51 | Low | 93 Ų | 93 | 125.8 Ų | 125.8 | 60% | 0.604 | 73% | 0.727 | S | S | * | * | trans | -73.2 | 100.2 | 158.5 | 28.3 | -27 | 0 | 0 | 0 | 108 | Y40 | P38-Y40 HydrophobicContact CB-CD2 4.21Å; P38-Y40 HydrophobicContact CB-CE2 3.78Å; P38-Y40 HydrophobicContact CG-CD2 4.47Å; P38-Y40 HydrophobicContact CG-CE2 4.02Å; P38-Y40 VanDerWaalsContact O-CD2 3.3Å; P38-Y40 WeakPolarHBondContact O-CD2 3.33Å; P38-Y40 PolarHBondContact O-N 3.47Å | ||
| 39 | N | 57 | Low | 52.9 | Low | 110 Ų | 110 | 125.5 Ų | 125.5 | 59% | 0.588 | 72% | 0.718 | S | S | * | * | trans | -61.1 | 90.3 | 171.1 | -178 | 9.2 | 0 | 0 | 0 | 110.5 | E37 H41 | E37-N39 PolarHBondContact O-N 2.86Å; N39-H41 PolarHBondContact ND2-CD2 2.92Å; N39-H41 PolarHBondContact ND2-NE2 3.39Å; N39-H41 PolarHBondContact O-N 3.26Å; N39-H41 PolarHBondContact OD1-CD2 3.07Å; N39-H41 PolarHBondContact OD1-CE1 3.19Å; N39-H41 PolarHBondContact OD1-NE2 3.37Å | ||
| 40 | Y | 49.2 | Very low | 54.9 | Low | 189 Ų | 189 | 125.1 Ų | 125.1 | 74% | 0.741 | 71% | 0.707 | S | S | * | * | trans | -84.2 | 87.2 | 166.4 | -72.1 | -81.7 | 0 | 0 | 0 | 109.3 | P38 S42 | P38-Y40 HydrophobicContact CB-CD2 4.21Å; P38-Y40 HydrophobicContact CB-CE2 3.78Å; P38-Y40 HydrophobicContact CG-CD2 4.47Å; P38-Y40 HydrophobicContact CG-CE2 4.02Å; P38-Y40 VanDerWaalsContact O-CD2 3.3Å; P38-Y40 WeakPolarHBondContact O-CD2 3.33Å; P38-Y40 PolarHBondContact O-N 3.47Å; Y40-S42 PolarHBondContact O-N 3.31Å | ||
| 41 | H | 54.5 | Low | 57.5 | Low | 143 Ų | 143 | 123.8 Ų | 123.8 | 66% | 0.662 | 69% | 0.69 | S | S | * | * | trans | -61.2 | 114.7 | 167.2 | -81.6 | -58.6 | 0 | 0 | 0 | 111.2 | N39 | N39-H41 PolarHBondContact ND2-CD2 2.92Å; N39-H41 PolarHBondContact ND2-NE2 3.39Å; N39-H41 PolarHBondContact O-N 3.26Å; N39-H41 PolarHBondContact OD1-CD2 3.07Å; N39-H41 PolarHBondContact OD1-CE1 3.19Å; N39-H41 PolarHBondContact OD1-NE2 3.37Å | ||
| 42 | S | 54.3 | Low | 59.6 | Low | 78 Ų | 78 | 116.2 Ų | 116.2 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | 67.7 | 88.2 | 125.2 | -49.8 | 0 | 0 | 0 | 0 | 118.8 | Y40 | Y40-S42 PolarHBondContact O-N 3.31Š| |||
| 43 | L | 50.3 | Low | 62.4 | Low | 136 Ų | 136 | 116 Ų | 116 | 71% | 0.712 | 65% | 0.652 | S | S | * | * | trans | -111.3 | 106.9 | 138.4 | -71.6 | 175.3 | 0 | 0 | 0 | 108.2 | ||||
| 44 | P | 56.4 | Low | 64.8 | Low | 101 Ų | 101 | 113 Ų | 113 | 66% | 0.656 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.7 | -27.4 | -175.2 | -16.7 | 30 | 0 | 0 | 0 | 113.6 | T48 | P44-T48 PolarHBondContact O-OG1 3.37Å |
| 45 | S | 54.9 | Low | 67.4 | Low | 110 Ų | 110 | 108.4 Ų | 108.4 | 77% | 0.769 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -83.4 | -30.8 | -166 | -165.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 46 | A | 54.9 | Low | 69.9 | Low | 62 Ų | 62 | 108 Ų | 108 | 51% | 0.512 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -86.1 | -29.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T48 D49 E50 | A46-T48 VanDerWaalsContact C-N 3.3Å; A46-T48 PolarHBondContact O-N 2.79Å; A46-D49 PolarHBondContact O-N 2.92Å; A46-E50 PolarHBondContact O-N 2.98Å |
| 47 | R | 60.9 | Low | 72.5 | Confident | 167 Ų | 167 | 107.1 Ų | 107.1 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.5 | -31.1 | 179.7 | -74.4 | -170.1 | 170.8 | -177.2 | 0.3 | 113.2 | Q51 | R47-Q51 VanDerWaalsContact O-CB 3.26Å; R47-Q51 WeakPolarHBondContact O-CB 3.26Å; R47-Q51 PolarHBondContact O-N 3.35Å |
| 48 | T | 72.6 | Confident | 74.8 | Confident | 100 Ų | 100 | 104.3 Ų | 104.3 | 61% | 0.613 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.8 | -36.6 | 179.1 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | P44 A46 A52 | P44-T48 PolarHBondContact O-OG1 3.37Å; A46-T48 VanDerWaalsContact C-N 3.3Å; A46-T48 PolarHBondContact O-N 2.79Å; T48-A52 WeakPolarHBondContact O-CB 3.39Å; T48-A52 PolarHBondContact O-N 3.16Å |
| 49 | D | 87.3 | Confident | 77 | Confident | 114 Ų | 114 | 102.9 Ų | 102.9 | 61% | 0.61 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.5 | -45.4 | 177.8 | -169.9 | 35.5 | 0 | 0 | 0 | 111.5 | A46 Q51 A52 L53 | A46-D49 PolarHBondContact O-N 2.92Å; D49-Q51 VanDerWaalsContact C-N 3.31Å; D49-Q51 PolarHBondContact O-N 2.91Å; D49-A52 PolarHBondContact O-N 2.86Å; D49-A52 VanDerWaalsContact O-N 3.16Å; D49-L53 WeakPolarHBondContact O-CB 3.46Å; D49-L53 PolarHBondContact O-N 3.24Å |
| 50 | E | 93.5 | Very high | 79 | Confident | 110 Ų | 110 | 104.1 Ų | 104.1 | 51% | 0.514 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.1 | -42.6 | 173.2 | -64 | -62 | 154.8 | 0 | 0 | 111.7 | A46 L53 L54 | A46-E50 PolarHBondContact O-N 2.98Å; E50-L53 PolarHBondContact O-N 3.43Å; E50-L54 WeakPolarHBondContact O-CB 3.25Å; E50-L54 VanDerWaalsContact O-CG 3.25Å; E50-L54 WeakPolarHBondContact O-CG 3.46Å; E50-L54 PolarHBondContact O-N 3.37Å |
| 51 | Q | 94.6 | Very high | 81.3 | Confident | 115 Ų | 115 | 98.2 Ų | 98.2 | 54% | 0.537 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.1 | -36.9 | 176.9 | -171.4 | 61.8 | 35 | 0 | 0 | 112.4 | R47 D49 S55 | R47-Q51 VanDerWaalsContact O-CB 3.26Å; R47-Q51 WeakPolarHBondContact O-CB 3.26Å; R47-Q51 PolarHBondContact O-N 3.35Å; D49-Q51 VanDerWaalsContact C-N 3.31Å; D49-Q51 PolarHBondContact O-N 2.91Å; Q51-S55 WeakPolarHBondContact O-CB 3.28Å; Q51-S55 PolarHBondContact O-N 2.92Å; Q51-S55 PolarHBondContact O-OG 2.89Å |
| 52 | A | 95 | Very high | 83.4 | Confident | 55 Ų | 55 | 94.9 Ų | 94.9 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T48 D49 S55 S56 | T48-A52 WeakPolarHBondContact O-CB 3.39Å; T48-A52 PolarHBondContact O-N 3.16Å; D49-A52 PolarHBondContact O-N 2.86Å; D49-A52 VanDerWaalsContact O-N 3.16Å; A52-S55 PolarHBondContact O-N 3.3Å; A52-S56 WeakPolarHBondContact O-CB 3.35Å; A52-S56 PolarHBondContact O-N 3.45Å |
| 53 | L | 96.4 | Very high | 85.4 | Confident | 89 Ų | 89 | 96 Ų | 96 | 47% | 0.466 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.9 | -49.6 | 174.2 | 178.1 | 64.4 | 0 | 0 | 0 | 110.7 | D49 E50 S55 S56 I57 | D49-L53 WeakPolarHBondContact O-CB 3.46Å; D49-L53 PolarHBondContact O-N 3.24Å; E50-L53 PolarHBondContact O-N 3.43Å; L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 2.83Å; L53-S56 WeakPolarHBondContact O-CB 3.31Å; L53-S56 PolarHBondContact O-N 3.49Å; L53-I57 HydrophobicContact CD1-CD1 4.36Å; L53-I57 HydrophobicContact CG-CD1 4.05Å; L53-I57 VanDerWaalsContact O-CG1 3.28Å; L53-I57 WeakPolarHBondContact O-CG1 3.42Å; L53-I57 PolarHBondContact O-N 2.7Å |
| 54 | L | 97.4 | Very high | 87.6 | Confident | 88 Ų | 88 | 94.7 Ų | 94.7 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.2 | -40.2 | 175.5 | -68.7 | 172.9 | 0 | 0 | 0 | 111.8 | E50 S56 I57 L58 | E50-L54 WeakPolarHBondContact O-CB 3.25Å; E50-L54 VanDerWaalsContact O-CG 3.25Å; E50-L54 WeakPolarHBondContact O-CG 3.46Å; E50-L54 PolarHBondContact O-N 3.37Å; L54-S56 PolarHBondContact O-N 3.25Å; L54-I57 HydrophobicContact CD2-CD1 4.43Å; L54-I57 PolarHBondContact O-N 3.49Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.36Å; L54-L58 PolarHBondContact O-N 3.25Å |
| 55 | S | 97.1 | Very high | 89.5 | Confident | 58 Ų | 58 | 95.5 Ų | 95.5 | 41% | 0.406 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | Q51 A52 L53 L58 A59 | Q51-S55 WeakPolarHBondContact O-CB 3.28Å; Q51-S55 PolarHBondContact O-N 2.92Å; Q51-S55 PolarHBondContact O-OG 2.89Å; A52-S55 PolarHBondContact O-N 3.3Å; L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 2.83Å; S55-L58 PolarHBondContact O-N 2.93Å; S55-A59 WeakPolarHBondContact O-CB 3.23Å; S55-A59 PolarHBondContact O-N 3.44Å |
| 56 | S | 97.4 | Very high | 91.4 | Very high | 70 Ų | 70 | 97.1 Ų | 97.1 | 49% | 0.49 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 173.1 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | A52 L53 L54 L58 A59 K60 | A52-S56 WeakPolarHBondContact O-CB 3.35Å; A52-S56 PolarHBondContact O-N 3.45Å; L53-S56 WeakPolarHBondContact O-CB 3.31Å; L53-S56 PolarHBondContact O-N 3.49Å; L54-S56 PolarHBondContact O-N 3.25Å; S56-L58 VanDerWaalsContact C-N 3.31Å; S56-L58 PolarHBondContact O-N 2.87Å; S56-A59 PolarHBondContact O-N 2.83Å; S56-K60 WeakPolarHBondContact O-CB 3.44Å; S56-K60 PolarHBondContact O-N 2.82Å |
| 57 | I | 97.8 | Very high | 93.1 | Very high | 82 Ų | 82 | 98.9 Ų | 98.9 | 42% | 0.421 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 175.2 | -70 | 163.9 | 0 | 0 | 0 | 109.7 | L53 L54 T61 | L53-I57 HydrophobicContact CD1-CD1 4.36Å; L53-I57 HydrophobicContact CG-CD1 4.05Å; L53-I57 VanDerWaalsContact O-CG1 3.28Å; L53-I57 WeakPolarHBondContact O-CG1 3.42Å; L53-I57 PolarHBondContact O-N 2.7Å; L54-I57 HydrophobicContact CD2-CD1 4.43Å; L54-I57 PolarHBondContact O-N 3.49Å; I57-T61 VanDerWaalsContact O-CB 3.23Å; I57-T61 WeakPolarHBondContact O-CB 3.34Å; I57-T61 PolarHBondContact O-N 3.08Å; I57-T61 PolarHBondContact O-OG1 3.36Å |
| 58 | L | 98.3 | Very high | 94.6 | Very high | 120 Ų | 120 | 97.4 Ų | 97.4 | 63% | 0.628 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.1 | -47.2 | 178.1 | -69.4 | 173.4 | 0 | 0 | 0 | 112.1 | L54 S55 S56 K60 T61 A62 | L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.36Å; L54-L58 PolarHBondContact O-N 3.25Å; S55-L58 PolarHBondContact O-N 2.93Å; S56-L58 VanDerWaalsContact C-N 3.31Å; S56-L58 PolarHBondContact O-N 2.87Å; L58-K60 PolarHBondContact O-N 2.65Å; L58-T61 PolarHBondContact O-N 3.48Å; L58-A62 WeakPolarHBondContact O-CB 3.19Å; L58-A62 PolarHBondContact O-N 3.44Å |
| 59 | A | 97.8 | Very high | 95.5 | Very high | 64 Ų | 64 | 96.5 Ų | 96.5 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.7 | -43.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S55 S56 T61 A62 S63 | S55-A59 WeakPolarHBondContact O-CB 3.23Å; S55-A59 PolarHBondContact O-N 3.44Å; S56-A59 PolarHBondContact O-N 2.83Å; A59-T61 VanDerWaalsContact C-N 3.34Å; A59-A62 PolarHBondContact O-N 3.19Å; A59-S63 WeakPolarHBondContact O-CB 3.35Å; A59-S63 PolarHBondContact O-N 3.39Å |
| 60 | K | 98.1 | Very high | 95.4 | Very high | 136 Ų | 136 | 93.1 Ų | 93.1 | 59% | 0.591 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 175 | -177.8 | 174.8 | -179.2 | 179.5 | 0 | 111.2 | S56 L58 S63 N64 | S56-K60 WeakPolarHBondContact O-CB 3.44Å; S56-K60 PolarHBondContact O-N 2.82Å; L58-K60 PolarHBondContact O-N 2.65Å; K60-S63 PolarHBondContact O-N 2.9Å; K60-N64 WeakPolarHBondContact O-CB 3.37Å; K60-N64 PolarHBondContact O-N 3.38Å; K60-N64 PolarHBondContact O-ND2 3.07Å |
| 61 | T | 98.3 | Very high | 94.6 | Very high | 65 Ų | 65 | 92.4 Ų | 92.4 | 40% | 0.399 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.3 | -46.4 | 177.7 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | I57 L58 A59 S63 N64 I65 | I57-T61 VanDerWaalsContact O-CB 3.23Å; I57-T61 WeakPolarHBondContact O-CB 3.34Å; I57-T61 PolarHBondContact O-N 3.08Å; I57-T61 PolarHBondContact O-OG1 3.36Å; L58-T61 PolarHBondContact O-N 3.48Å; A59-T61 VanDerWaalsContact C-N 3.34Å; T61-S63 VanDerWaalsContact C-N 3.31Å; T61-S63 PolarHBondContact O-N 2.94Å; T61-N64 PolarHBondContact O-N 3.42Å; T61-N64 VanDerWaalsContact O-N 3.08Å; T61-I65 HydrophobicContact CG2-CD1 3.78Å; T61-I65 HydrophobicContact CG2-CG1 4.3Å; T61-I65 WeakPolarHBondContact O-CG1 3.42Å; T61-I65 PolarHBondContact O-N 3.23Å |
| 62 | A | 97.6 | Very high | 93.8 | Very high | 72 Ų | 72 | 94.2 Ų | 94.2 | 60% | 0.595 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.7 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L58 A59 N64 | L58-A62 WeakPolarHBondContact O-CB 3.19Å; L58-A62 PolarHBondContact O-N 3.44Å; A59-A62 PolarHBondContact O-N 3.19Å; A62-N64 VanDerWaalsContact C-N 3.31Å; A62-N64 PolarHBondContact O-N 2.96Å |
| 63 | S | 96.4 | Very high | 92.5 | Very high | 101 Ų | 101 | 95.5 Ų | 95.5 | 71% | 0.706 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.2 | -24.6 | 175.3 | -175.8 | 0 | 0 | 0 | 0 | 113.8 | A59 K60 T61 | A59-S63 WeakPolarHBondContact O-CB 3.35Å; A59-S63 PolarHBondContact O-N 3.39Å; K60-S63 PolarHBondContact O-N 2.9Å; T61-S63 VanDerWaalsContact C-N 3.31Å; T61-S63 PolarHBondContact O-N 2.94Å |
| 64 | N | 97.1 | Very high | 91.2 | Very high | 109 Ų | 109 | 100.5 Ų | 100.5 | 58% | 0.583 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -95.5 | -22.2 | -176.3 | -71.2 | -18.7 | 0 | 0 | 0 | 113.1 | K60 T61 A62 | K60-N64 WeakPolarHBondContact O-CB 3.37Å; K60-N64 PolarHBondContact O-N 3.38Å; K60-N64 PolarHBondContact O-ND2 3.07Å; T61-N64 PolarHBondContact O-N 3.42Å; T61-N64 VanDerWaalsContact O-N 3.08Å; A62-N64 VanDerWaalsContact C-N 3.31Å; A62-N64 PolarHBondContact O-N 2.96Å |
| 65 | I | 96.4 | Very high | 90.4 | Very high | 119 Ų | 119 | 98.9 Ų | 98.9 | 61% | 0.61 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -71 | 131.6 | 173.6 | -71.5 | 170.5 | 0 | 0 | 0 | 108.5 | T61 | T61-I65 HydrophobicContact CG2-CD1 3.78Å; T61-I65 HydrophobicContact CG2-CG1 4.3Å; T61-I65 WeakPolarHBondContact O-CG1 3.42Å; T61-I65 PolarHBondContact O-N 3.23Å |
| 66 | I | 93.8 | Very high | 90 | Very high | 143 Ų | 143 | 99.5 Ų | 99.5 | 73% | 0.733 | 60% | 0.598 | S | S | * | * | trans | -87.1 | 121.6 | 177.4 | -60.4 | 169.8 | 0 | 0 | 0 | 108.2 | V68 | I66-V68 PolarHBondContact O-N 3.3Š| ||
| 67 | D | 92.1 | Very high | 89.7 | Confident | 99 Ų | 99 | 101.4 Ų | 101.4 | 53% | 0.529 | 60% | 0.599 | S | S | . | * | trans | -76.3 | 102.6 | 167.4 | -178.3 | 2.6 | 0 | 0 | 0 | 109.7 | S69 A70 | D67-S69 PolarHBondContact O-N 3.4Å; D67-S69 WeakPolarHBondContact OD1-CA 3.47Å; D67-S69 WeakPolarHBondContact OD1-CB 3.37Å; D67-S69 PolarHBondContact OD1-N 2.63Å; D67-S69 PolarHBondContact OD1-OG 2.87Å; D67-A70 HydrophobicContact CB-CB 4.13Å; D67-A70 PolarHBondContact O-N 3.48Å; D67-A70 PolarHBondContact OD1-N 3.21Å | ||
| 68 | V | 92.2 | Very high | 89.5 | Confident | 136 Ų | 136 | 105.2 Ų | 105.2 | 82% | 0.824 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -12.2 | 178.8 | -62.3 | 0 | 0 | 0 | 0 | 113.3 | I66 | I66-V68 PolarHBondContact O-N 3.3Š|
| 69 | S | 90.4 | Very high | 89.4 | Confident | 81 Ų | 81 | 104.6 Ų | 104.6 | 57% | 0.566 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -7.7 | 178.7 | 72 | 0 | 0 | 0 | 0 | 113.9 | D67 A71 D72 | D67-S69 PolarHBondContact O-N 3.4Å; D67-S69 WeakPolarHBondContact OD1-CA 3.47Å; D67-S69 WeakPolarHBondContact OD1-CB 3.37Å; D67-S69 PolarHBondContact OD1-N 2.63Å; D67-S69 PolarHBondContact OD1-OG 2.87Å; S69-A71 PolarHBondContact O-N 3.18Å; S69-D72 PolarHBondContact O-N 2.75Å |
| 70 | A | 85.3 | Confident | 89.3 | Confident | 43 Ų | 43 | 105.4 Ų | 105.4 | 36% | 0.355 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -64.5 | -13.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D67 D72 S73 | D67-A70 HydrophobicContact CB-CB 4.13Å; D67-A70 PolarHBondContact O-N 3.48Å; D67-A70 PolarHBondContact OD1-N 3.21Å; A70-D72 PolarHBondContact O-N 2.83Å; A70-S73 WeakPolarHBondContact O-CB 3.39Å; A70-S73 PolarHBondContact O-N 3.03Å; A70-S73 VanDerWaalsContact O-N 3.15Å; A70-S73 PolarHBondContact O-OG 3.29Å |
| 71 | A | 77.2 | Confident | 89.2 | Confident | 95 Ų | 95 | 105.8 Ų | 105.8 | 79% | 0.785 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -60.1 | -31 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S69 | S69-A71 PolarHBondContact O-N 3.18Š|
| 72 | D | 78.1 | Confident | 89.2 | Confident | 154 Ų | 154 | 106.7 Ų | 106.7 | 82% | 0.824 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -99.6 | 6.2 | -179.9 | -63.2 | -35 | 0 | 0 | 0 | 112.7 | S69 A70 Q74 | S69-D72 PolarHBondContact O-N 2.75Å; A70-D72 PolarHBondContact O-N 2.83Å; D72-Q74 PolarHBondContact O-N 3.34Å |
| 73 | S | 67.9 | Low | 89.2 | Confident | 82 Ų | 82 | 107.4 Ų | 107.4 | 57% | 0.573 | 60% | 0.595 | S | S | * | * | trans | -59.8 | 125.2 | 178 | 62 | 0 | 0 | 0 | 0 | 109.5 | A70 G75 | A70-S73 WeakPolarHBondContact O-CB 3.39Å; A70-S73 PolarHBondContact O-N 3.03Å; A70-S73 VanDerWaalsContact O-N 3.15Å; A70-S73 PolarHBondContact O-OG 3.29Å; S73-G75 VanDerWaalsContact C-N 3.34Å; S73-G75 PolarHBondContact O-N 3.15Å | ||
| 74 | Q | 68.8 | Low | 89.2 | Confident | 194 Ų | 194 | 108.1 Ų | 108.1 | 91% | 0.907 | 58% | 0.582 | S | S | * | * | trans | -58.4 | 104 | 172.8 | -162.5 | 176.3 | -14.2 | 0 | 0 | 105.9 | D72 | D72-Q74 PolarHBondContact O-N 3.34Š| ||
| 75 | G | 80.9 | Confident | 89.2 | Confident | 54 Ų | 54 | 104.6 Ų | 104.6 | 56% | 0.557 | 57% | 0.568 | S | S | * | * | trans | -60.4 | -173.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S73 E77 | S73-G75 VanDerWaalsContact C-N 3.34Å; S73-G75 PolarHBondContact O-N 3.15Å; G75-E77 PolarHBondContact O-N 3.45Å | ||
| 76 | M | 87.3 | Confident | 89.3 | Confident | 71 Ų | 71 | 105.3 Ų | 105.3 | 35% | 0.35 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -48.8 | 134.1 | 178.1 | -167.5 | 164.4 | -174.2 | 0 | 0 | 112 | E80 R84 | M76-E80 VanDerWaalsContact CE-C 3.44Å; M76-E80 HydrophobicContact CE-CB 3.29Å; M76-E80 HydrophobicContact CE-CG 4.45Å; M76-E80 WeakPolarHBondContact CE-O 3.35Å; M76-E80 HydrophobicContact CG-CB 3.97Å; M76-E80 WeakPolarHBondContact CG-OE2 3.33Å; M76-R84 HydrophobicContact CE-CB 4.29Å; M76-R84 PolarHBondContact SD-NH1 3.45Å |
| 77 | E | 92.6 | Very high | 89.5 | Confident | 110 Ų | 110 | 103 Ų | 103 | 51% | 0.514 | 55% | 0.549 | S | S | . | . | trans | -62.9 | 146 | 180 | -63.7 | -172.4 | 76.8 | 0 | 0 | 110.1 | G75 H79 E80 Y81 | G75-E77 PolarHBondContact O-N 3.45Å; E77-H79 WeakPolarHBondContact CB-ND1 3.43Å; E77-H79 PolarHBondContact O-N 3.13Å; E77-H79 VanDerWaalsContact O-N 3.16Å; E77-H79 IonicContact OE1-CE1 3.42Å; E77-H79 PolarHBondContact OE1-CE1 3.27Å; E77-H79 IonicContact OE1-ND1 3.76Å; E77-H79 IonicContact OE2-CE1 3.33Å; E77-H79 PolarHBondContact OE2-CE1 3.31Å; E77-E80 HydrophobicContact CB-CG 4.07Å; E77-E80 PolarHBondContact O-N 3.28Å; E77-E80 VanDerWaalsContact O-N 3.13Å; E77-Y81 PolarHBondContact O-N 3.02Å | ||
| 78 | Q | 93.6 | Very high | 89.8 | Confident | 162 Ų | 162 | 104.4 Ų | 104.4 | 76% | 0.757 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -56.8 | -38.9 | -174.6 | -174.5 | -179.1 | 9 | 0 | 0 | 112.2 | Y81 M82 | Q78-Y81 PolarHBondContact O-N 2.66Å; Q78-M82 VanDerWaalsContact O-CG 3.24Å; Q78-M82 WeakPolarHBondContact O-CG 3.5Å; Q78-M82 PolarHBondContact O-N 3.37Å |
| 79 | H | 96.3 | Very high | 90.1 | Very high | 106 Ų | 106 | 101.6 Ų | 101.6 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | -179.5 | 73.5 | -80.7 | 0 | 0 | 0 | 111.6 | E77 Y81 M82 D83 | E77-H79 WeakPolarHBondContact CB-ND1 3.43Å; E77-H79 PolarHBondContact O-N 3.13Å; E77-H79 VanDerWaalsContact O-N 3.16Å; E77-H79 IonicContact OE1-CE1 3.42Å; E77-H79 PolarHBondContact OE1-CE1 3.27Å; E77-H79 IonicContact OE1-ND1 3.76Å; E77-H79 IonicContact OE2-CE1 3.33Å; E77-H79 PolarHBondContact OE2-CE1 3.31Å; H79-Y81 VanDerWaalsContact C-N 3.32Å; H79-Y81 PolarHBondContact O-N 3.27Å; H79-M82 PolarHBondContact O-N 2.94Å; H79-D83 PolarHBondContact O-N 3.5Å |
| 80 | E | 95.8 | Very high | 90.4 | Very high | 82 Ų | 82 | 102.1 Ų | 102.1 | 38% | 0.383 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 175.3 | -55.9 | -177.5 | 140 | 0 | 0 | 111.2 | M76 E77 M82 D83 R84 | M76-E80 VanDerWaalsContact CE-C 3.44Å; M76-E80 HydrophobicContact CE-CB 3.29Å; M76-E80 HydrophobicContact CE-CG 4.45Å; M76-E80 WeakPolarHBondContact CE-O 3.35Å; M76-E80 HydrophobicContact CG-CB 3.97Å; M76-E80 WeakPolarHBondContact CG-OE2 3.33Å; E77-E80 HydrophobicContact CB-CG 4.07Å; E77-E80 PolarHBondContact O-N 3.28Å; E77-E80 VanDerWaalsContact O-N 3.13Å; E80-M82 VanDerWaalsContact C-N 3.35Å; E80-D83 PolarHBondContact O-N 3.46Å; E80-R84 WeakPolarHBondContact O-CB 3.17Å; E80-R84 PolarHBondContact O-N 2.99Å |
| 81 | Y | 95.6 | Very high | 90.9 | Very high | 143 Ų | 143 | 106.7 Ų | 106.7 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.3 | -46.9 | 177.1 | 173.7 | -91.8 | 0 | 0 | 0 | 110.9 | E77 Q78 H79 D83 R84 A85 | E77-Y81 PolarHBondContact O-N 3.02Å; Q78-Y81 PolarHBondContact O-N 2.66Å; H79-Y81 VanDerWaalsContact C-N 3.32Å; H79-Y81 PolarHBondContact O-N 3.27Å; Y81-D83 VanDerWaalsContact C-N 3.34Å; Y81-D83 PolarHBondContact O-N 2.8Å; Y81-R84 PolarHBondContact O-N 3.44Å; Y81-A85 WeakPolarHBondContact O-CB 3.41Å; Y81-A85 PolarHBondContact O-N 3.27Å |
| 82 | M | 97.4 | Very high | 91.8 | Very high | 85 Ų | 85 | 107.6 Ų | 107.6 | 42% | 0.419 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | -179.9 | -69.5 | -62 | -70.8 | 0 | 0 | 112 | Q78 H79 E80 R86 | Q78-M82 VanDerWaalsContact O-CG 3.24Å; Q78-M82 WeakPolarHBondContact O-CG 3.5Å; Q78-M82 PolarHBondContact O-N 3.37Å; H79-M82 PolarHBondContact O-N 2.94Å; E80-M82 VanDerWaalsContact C-N 3.35Å; M82-R86 PolarHBondContact O-N 2.88Å |
| 83 | D | 97.5 | Very high | 92.6 | Very high | 86 Ų | 86 | 103 Ų | 103 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 174.4 | -76.6 | -26.3 | 0 | 0 | 0 | 112.1 | H79 E80 Y81 R86 Q87 | H79-D83 PolarHBondContact O-N 3.5Å; E80-D83 PolarHBondContact O-N 3.46Å; Y81-D83 VanDerWaalsContact C-N 3.34Å; Y81-D83 PolarHBondContact O-N 2.8Å; D83-R86 PolarHBondContact O-N 3.34Å; D83-R86 IonicContact OD1-CZ 3.47Å; D83-R86 IonicContact OD1-NE 3.47Å; D83-R86 PolarHBondContact OD1-NE 3.3Å; D83-R86 IonicContact OD1-NH2 2.66Å; D83-R86 PolarHBondContact OD1-NH2 2.91Å; D83-Q87 WeakPolarHBondContact O-CB 3.35Å; D83-Q87 PolarHBondContact O-N 3.33Å |
| 84 | R | 97.4 | Very high | 93.8 | Very high | 117 Ų | 117 | 103.8 Ų | 103.8 | 44% | 0.442 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 175.5 | -173.5 | 179.1 | -71.3 | 171.7 | 5.1 | 111.5 | M76 E80 Y81 Q87 Y88 | M76-R84 HydrophobicContact CE-CB 4.29Å; M76-R84 PolarHBondContact SD-NH1 3.45Å; E80-R84 WeakPolarHBondContact O-CB 3.17Å; E80-R84 PolarHBondContact O-N 2.99Å; Y81-R84 PolarHBondContact O-N 3.44Å; R84-Q87 PolarHBondContact O-N 2.96Å; R84-Y88 HydrophobicContact CG-CD2 4.04Å; R84-Y88 HydrophobicContact CG-CE1 4.15Å; R84-Y88 HydrophobicContact CG-CE2 3.49Å; R84-Y88 VanDerWaalsContact CG-CE2 3.49Å; R84-Y88 PolarHBondContact O-N 3.13Å |
| 85 | A | 97.6 | Very high | 94.9 | Very high | 35 Ų | 35 | 99.9 Ų | 99.9 | 29% | 0.289 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y81 S89 | Y81-A85 WeakPolarHBondContact O-CB 3.41Å; Y81-A85 PolarHBondContact O-N 3.27Å; A85-S89 WeakPolarHBondContact O-CB 3.42Å; A85-S89 PolarHBondContact O-N 3.33Å; A85-S89 PolarHBondContact O-OG 3.32Å |
| 86 | R | 98.3 | Very high | 95.4 | Very high | 134 Ų | 134 | 99.8 Ų | 99.8 | 51% | 0.506 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 172.7 | -82.2 | -174.1 | -75.6 | -89.7 | 4.1 | 111.4 | M82 D83 Y88 S89 T90 | M82-R86 PolarHBondContact O-N 2.88Å; D83-R86 PolarHBondContact O-N 3.34Å; D83-R86 IonicContact OD1-CZ 3.47Å; D83-R86 IonicContact OD1-NE 3.47Å; D83-R86 PolarHBondContact OD1-NE 3.3Å; D83-R86 IonicContact OD1-NH2 2.66Å; D83-R86 PolarHBondContact OD1-NH2 2.91Å; R86-Y88 VanDerWaalsContact C-N 3.34Å; R86-Y88 PolarHBondContact O-N 2.93Å; R86-S89 WeakPolarHBondContact O-CB 2.96Å; R86-S89 PolarHBondContact O-N 3.42Å; R86-T90 PolarHBondContact O-N 2.91Å; R86-T90 PolarHBondContact O-OG1 2.9Å |
| 87 | Q | 98.1 | Very high | 95.4 | Very high | 93 Ų | 93 | 100.4 Ų | 100.4 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.3 | -45.4 | -179.7 | -174.2 | -178.9 | 50.6 | 0 | 0 | 111.9 | D83 R84 T90 R91 | D83-Q87 WeakPolarHBondContact O-CB 3.35Å; D83-Q87 PolarHBondContact O-N 3.33Å; R84-Q87 PolarHBondContact O-N 2.96Å; Q87-T90 PolarHBondContact O-N 3.41Å; Q87-R91 WeakPolarHBondContact O-CB 3.03Å; Q87-R91 WeakPolarHBondContact O-CG 3.28Å; Q87-R91 PolarHBondContact O-N 3.12Å |
| 88 | Y | 98.3 | Very high | 95 | Very high | 129 Ų | 129 | 99.2 Ų | 99.2 | 51% | 0.506 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -41 | 176.6 | -66.8 | -16.5 | 0 | 0 | 0 | 112.1 | R84 R86 T90 R91 L92 | R84-Y88 HydrophobicContact CG-CD2 4.04Å; R84-Y88 HydrophobicContact CG-CE1 4.15Å; R84-Y88 HydrophobicContact CG-CE2 3.49Å; R84-Y88 VanDerWaalsContact CG-CE2 3.49Å; R84-Y88 PolarHBondContact O-N 3.13Å; R86-Y88 VanDerWaalsContact C-N 3.34Å; R86-Y88 PolarHBondContact O-N 2.93Å; Y88-T90 VanDerWaalsContact C-N 3.34Å; Y88-T90 PolarHBondContact O-N 3.16Å; Y88-R91 PolarHBondContact O-N 3.03Å; Y88-L92 WeakPolarHBondContact O-CB 3.43Å; Y88-L92 PolarHBondContact O-N 3.35Å |
| 89 | S | 97.6 | Very high | 94.7 | Very high | 77 Ų | 77 | 95 Ų | 95 | 54% | 0.538 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 176.2 | -59 | 0 | 0 | 0 | 0 | 111.5 | A85 R86 L92 A93 | A85-S89 WeakPolarHBondContact O-CB 3.42Å; A85-S89 PolarHBondContact O-N 3.33Å; A85-S89 PolarHBondContact O-OG 3.32Å; R86-S89 WeakPolarHBondContact O-CB 2.96Å; R86-S89 PolarHBondContact O-N 3.42Å; S89-L92 PolarHBondContact O-N 2.75Å; S89-A93 WeakPolarHBondContact O-CB 3.42Å; S89-A93 PolarHBondContact O-N 3.41Å |
| 90 | T | 97.1 | Very high | 94 | Very high | 93 Ų | 93 | 95.7 Ų | 95.7 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.3 | -46.8 | 177.2 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | R86 Q87 Y88 L92 A93 V94 | R86-T90 PolarHBondContact O-N 2.91Å; R86-T90 PolarHBondContact O-OG1 2.9Å; Q87-T90 PolarHBondContact O-N 3.41Å; Y88-T90 VanDerWaalsContact C-N 3.34Å; Y88-T90 PolarHBondContact O-N 3.16Å; T90-L92 VanDerWaalsContact C-N 3.34Å; T90-L92 PolarHBondContact O-N 2.98Å; T90-A93 PolarHBondContact O-N 3.34Å; T90-V94 PolarHBondContact O-N 3.34Å |
| 91 | R | 96.8 | Very high | 93.3 | Very high | 139 Ų | 139 | 97.6 Ų | 97.6 | 53% | 0.525 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 178 | -72.2 | 176.8 | -177.5 | -178.2 | 1.4 | 111.5 | Q87 Y88 V94 L95 | Q87-R91 WeakPolarHBondContact O-CB 3.03Å; Q87-R91 WeakPolarHBondContact O-CG 3.28Å; Q87-R91 PolarHBondContact O-N 3.12Å; Y88-R91 PolarHBondContact O-N 3.03Å; R91-V94 PolarHBondContact O-N 3.21Å; R91-L95 WeakPolarHBondContact O-CG 3.21Å; R91-L95 PolarHBondContact O-N 2.92Å |
| 92 | L | 95.3 | Very high | 92.8 | Very high | 114 Ų | 114 | 100.3 Ų | 100.3 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -40.5 | 177.9 | -177.4 | 61.2 | 0 | 0 | 0 | 111.5 | Y88 S89 T90 V94 L95 S96 | Y88-L92 WeakPolarHBondContact O-CB 3.43Å; Y88-L92 PolarHBondContact O-N 3.35Å; S89-L92 PolarHBondContact O-N 2.75Å; T90-L92 VanDerWaalsContact C-N 3.34Å; T90-L92 PolarHBondContact O-N 2.98Å; L92-V94 VanDerWaalsContact C-N 3.33Å; L92-V94 PolarHBondContact O-N 2.8Å; L92-L95 PolarHBondContact O-N 3.15Å; L92-S96 WeakPolarHBondContact O-CB 3.46Å; L92-S96 PolarHBondContact O-N 2.95Å; L92-S96 PolarHBondContact O-OG 3.47Å |
| 93 | A | 94 | Very high | 92.2 | Very high | 58 Ų | 58 | 102.1 Ų | 102.1 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.5 | -46.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S89 T90 S96 S97 | S89-A93 WeakPolarHBondContact O-CB 3.42Å; S89-A93 PolarHBondContact O-N 3.41Å; T90-A93 PolarHBondContact O-N 3.34Å; A93-S96 PolarHBondContact O-N 3.39Å; A93-S96 PolarHBondContact O-OG 3.42Å; A93-S97 PolarHBondContact O-N 2.74Å |
| 94 | V | 94 | Very high | 91.8 | Very high | 97 Ų | 97 | 106.7 Ų | 106.7 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.6 | -48.5 | 176.5 | 176 | 0 | 0 | 0 | 0 | 111.2 | T90 R91 L92 S96 S97 | T90-V94 PolarHBondContact O-N 3.34Å; R91-V94 PolarHBondContact O-N 3.21Å; L92-V94 VanDerWaalsContact C-N 3.33Å; L92-V94 PolarHBondContact O-N 2.8Å; V94-S96 PolarHBondContact O-N 3.33Å; V94-S97 PolarHBondContact O-N 3.47Å; V94-S97 PolarHBondContact O-OG 3.29Å |
| 95 | L | 92.6 | Very high | 91.5 | Very high | 113 Ų | 113 | 109.1 Ų | 109.1 | 59% | 0.592 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.2 | -34.4 | -179.6 | -66.9 | 172.7 | 0 | 0 | 0 | 113.2 | R91 L92 S97 S98 L99 | R91-L95 WeakPolarHBondContact O-CG 3.21Å; R91-L95 PolarHBondContact O-N 2.92Å; L92-L95 PolarHBondContact O-N 3.15Å; L95-S97 PolarHBondContact O-N 2.92Å; L95-S98 PolarHBondContact O-N 3.17Å; L95-S98 PolarHBondContact O-OG 2.84Å; L95-L99 PolarHBondContact O-N 2.66Å; L95-L99 VanDerWaalsContact O-N 3.13Å |
| 96 | S | 91.2 | Very high | 91.2 | Very high | 52 Ų | 52 | 112.6 Ų | 112.6 | 36% | 0.364 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.1 | -27 | 179.4 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | L92 A93 V94 L99 K103 | L92-S96 WeakPolarHBondContact O-CB 3.46Å; L92-S96 PolarHBondContact O-N 2.95Å; L92-S96 PolarHBondContact O-OG 3.47Å; A93-S96 PolarHBondContact O-N 3.39Å; A93-S96 PolarHBondContact O-OG 3.42Å; V94-S96 PolarHBondContact O-N 3.33Å; S96-L99 PolarHBondContact O-N 2.98Å; S96-K103 WeakPolarHBondContact O-CE 3.24Å; S96-K103 PolarHBondContact O-NZ 3.39Å |
| 97 | S | 85.5 | Confident | 91 | Very high | 83 Ų | 83 | 112 Ų | 112 | 58% | 0.58 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.8 | -41.1 | 176.5 | 75.2 | 0 | 0 | 0 | 0 | 111.7 | A93 V94 L95 K103 | A93-S97 PolarHBondContact O-N 2.74Å; V94-S97 PolarHBondContact O-N 3.47Å; V94-S97 PolarHBondContact O-OG 3.29Å; L95-S97 PolarHBondContact O-N 2.92Å; S97-K103 PolarHBondContact O-NZ 3.46Å; S97-K103 VanDerWaalsContact O-NZ 3.12Å |
| 98 | S | 86 | Confident | 90.8 | Very high | 85 Ų | 85 | 115.5 Ų | 115.5 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -81.7 | -17.1 | 178.5 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | L95 T100 | L95-S98 PolarHBondContact O-N 3.17Å; L95-S98 PolarHBondContact O-OG 2.84Å; S98-T100 PolarHBondContact O-N 3Å |
| 99 | L | 87.3 | Confident | 90.8 | Very high | 73 Ų | 73 | 114.1 Ų | 114.1 | 38% | 0.382 | 62% | 0.624 | S | S | . | * | trans | -75.1 | 109.7 | 177.2 | -161.6 | 66.1 | 0 | 0 | 0 | 110.8 | L95 S96 H101 W102 K103 | L95-L99 PolarHBondContact O-N 2.66Å; L95-L99 VanDerWaalsContact O-N 3.13Å; S96-L99 PolarHBondContact O-N 2.98Å; L99-H101 VanDerWaalsContact CD1-CE1 3.43Å; L99-H101 WeakPolarHBondContact CD1-CE1 3.36Å; L99-W102 HydrophobicContact CD2-CB 4.05Å; L99-W102 HydrophobicContact CG-CB 4.49Å; L99-K103 VanDerWaalsContact O-CD 3.28Å; L99-K103 WeakPolarHBondContact O-CD 3.37Å; L99-K103 WeakPolarHBondContact O-CE 3.12Å; L99-K103 PolarHBondContact O-NZ 3.25Å | ||
| 100 | T | 79.9 | Confident | 90.7 | Very high | 121 Ų | 121 | 115.9 Ų | 115.9 | 74% | 0.742 | 64% | 0.636 | S | S | * | * | trans | -93.3 | -32 | -176.3 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | S98 | S98-T100 PolarHBondContact O-N 3Š| ||
| 101 | H | 81.6 | Confident | 90.8 | Very high | 123 Ų | 123 | 119.1 Ų | 119.1 | 57% | 0.569 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -91.5 | -22.4 | -165.9 | 67.1 | -42.5 | 0 | 0 | 0 | 116.7 | L99 | L99-H101 VanDerWaalsContact CD1-CE1 3.43Å; L99-H101 WeakPolarHBondContact CD1-CE1 3.36Å |
| 102 | W | 85.5 | Confident | 90.8 | Very high | 199 Ų | 199 | 115 Ų | 115 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -109.4 | 17 | -172.3 | -69.3 | 23.4 | 0 | 0 | 0 | 113.3 | L99 | L99-W102 HydrophobicContact CD2-CB 4.05Å; L99-W102 HydrophobicContact CG-CB 4.49Å |
| 103 | K | 85.6 | Confident | 90.9 | Very high | 124 Ų | 124 | 114.8 Ų | 114.8 | 54% | 0.539 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -78 | -23.8 | -179.2 | -76.3 | 177.1 | 166.6 | 149.7 | 0 | 113.3 | S96 S97 L99 | S96-K103 WeakPolarHBondContact O-CE 3.24Å; S96-K103 PolarHBondContact O-NZ 3.39Å; S97-K103 PolarHBondContact O-NZ 3.46Å; S97-K103 VanDerWaalsContact O-NZ 3.12Å; L99-K103 VanDerWaalsContact O-CD 3.28Å; L99-K103 WeakPolarHBondContact O-CD 3.37Å; L99-K103 WeakPolarHBondContact O-CE 3.12Å; L99-K103 PolarHBondContact O-NZ 3.25Å |
| 104 | K | 88.3 | Confident | 91.1 | Very high | 181 Ų | 181 | 117.3 Ų | 117.3 | 79% | 0.787 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -140.6 | 149 | -177.9 | -64.2 | -175.8 | -179.6 | -178.9 | 0 | 108.7 | ||
| 105 | L | 91.3 | Very high | 91.2 | Very high | 168 Ų | 168 | 115.7 Ų | 115.7 | 88% | 0.88 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 135.6 | 168.8 | -67.7 | 172.7 | 0 | 0 | 0 | 108.8 | ||
| 106 | P | 91.4 | Very high | 91.5 | Very high | 109 Ų | 109 | 118.1 Ų | 118.1 | 71% | 0.708 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 144.1 | 170.7 | -23.1 | 33.3 | 0 | 0 | 0 | 110.4 | ||
| 107 | P | 93 | Very high | 91.9 | Very high | 121 Ų | 121 | 121.4 Ų | 121.4 | 79% | 0.786 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 157.1 | 172.8 | 29.3 | -34.7 | 0 | 0 | 0 | 110.4 | ||
| 108 | L | 95.6 | Very high | 92.5 | Very high | 166 Ų | 166 | 121.1 Ų | 121.1 | 87% | 0.869 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 142.2 | 170.8 | -66.8 | 176.6 | 0 | 0 | 0 | 110.1 | ||
| 109 | P | 97.1 | Very high | 93 | Very high | 101 Ų | 101 | 124.1 Ų | 124.1 | 66% | 0.656 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 139.1 | 177.7 | 27.2 | -34 | 0 | 0 | 0 | 110.5 | L111 | P109-L111 HydrophobicContact CG-CD2 4.32Å; P109-L111 PolarHBondContact O-N 3.42Å |
| 110 | S | 96.8 | Very high | 93.5 | Very high | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | trans | -74.5 | 114.1 | 170.7 | -175.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 111 | L | 97.4 | Very high | 94.4 | Very high | 161 Ų | 161 | 122.3 Ų | 122.3 | 84% | 0.843 | 67% | 0.665 | S | S | * | * | trans | -86.5 | -25.2 | -179.4 | -56.7 | -178.5 | 0 | 0 | 0 | 112.7 | P109 | P109-L111 HydrophobicContact CG-CD2 4.32Å; P109-L111 PolarHBondContact O-N 3.42Å | ||
| 112 | T | 96.7 | Very high | 95.2 | Very high | 54 Ų | 54 | 124.6 Ų | 124.6 | 33% | 0.331 | 68% | 0.676 | S | S | . | * | trans | -157.1 | 148.6 | -180 | -179.3 | 0 | 0 | 0 | 0 | 111 | Q114 P115 V118 | T112-Q114 PolarHBondContact OG1-N 3.03Å; T112-P115 HydrophobicContact CG2-CB 4.5Å; T112-V118 HydrophobicContact CG2-CB 4.38Å; T112-V118 HydrophobicContact CG2-CG2 3.93Å; T112-V118 WeakPolarHBondContact OG1-CG2 3.5Å | ||
| 113 | S | 97.7 | Very high | 95.7 | Very high | 109 Ų | 109 | 120.1 Ų | 120.1 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -88.7 | -9 | 169.2 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 114 | Q | 97.8 | Very high | 96.3 | Very high | 111 Ų | 111 | 120 Ų | 120 | 52% | 0.519 | 68% | 0.677 | S | S | . | * | trans | -127.3 | 71.3 | -176.9 | -63 | -170.4 | 63.2 | 0 | 0 | 111 | T112 H116 Q117 V118 | T112-Q114 PolarHBondContact OG1-N 3.03Å; Q114-H116 VanDerWaalsContact C-N 3.32Å; Q114-H116 PolarHBondContact O-N 3.37Å; Q114-Q117 HydrophobicContact CB-CB 4.02Å; Q114-Q117 PolarHBondContact O-N 3.38Å; Q114-V118 PolarHBondContact O-N 2.97Å; Q114-V118 VanDerWaalsContact O-N 3.17Å | ||
| 115 | P | 97.8 | Very high | 96.7 | Very high | 63 Ų | 63 | 114.4 Ų | 114.4 | 41% | 0.409 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -61.2 | -39.7 | -173.9 | 24.2 | -34.1 | 0 | 0 | 0 | 112.5 | T112 Q117 V118 L119 | T112-P115 HydrophobicContact CG2-CB 4.5Å; P115-Q117 VanDerWaalsContact C-N 3.32Å; P115-Q117 PolarHBondContact O-N 3Å; P115-V118 PolarHBondContact O-N 2.98Å; P115-L119 WeakPolarHBondContact O-CB 3.39Å; P115-L119 VanDerWaalsContact O-CG 3.23Å; P115-L119 WeakPolarHBondContact O-CG 3.32Å; P115-L119 PolarHBondContact O-N 3.22Å |
| 116 | H | 98.4 | Very high | 97 | Very high | 163 Ų | 163 | 113 Ų | 113 | 76% | 0.755 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.3 | -38.3 | 179 | -55.4 | 103.2 | 0 | 0 | 0 | 112.6 | Q114 A120 | Q114-H116 VanDerWaalsContact C-N 3.32Å; Q114-H116 PolarHBondContact O-N 3.37Å; H116-A120 WeakPolarHBondContact O-CB 3.47Å; H116-A120 PolarHBondContact O-N 3.3Å |
| 117 | Q | 98.3 | Very high | 97.3 | Very high | 121 Ų | 121 | 111.2 Ų | 111.2 | 57% | 0.565 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.2 | -44.5 | 178.2 | -173.1 | -174.3 | 7.3 | 0 | 0 | 111.2 | Q114 P115 L119 A120 S121 | Q114-Q117 HydrophobicContact CB-CB 4.02Å; Q114-Q117 PolarHBondContact O-N 3.38Å; P115-Q117 VanDerWaalsContact C-N 3.32Å; P115-Q117 PolarHBondContact O-N 3Å; Q117-L119 VanDerWaalsContact C-N 3.33Å; Q117-L119 PolarHBondContact O-N 2.91Å; Q117-A120 PolarHBondContact O-N 2.98Å; Q117-S121 PolarHBondContact O-N 3.32Å; Q117-S121 VanDerWaalsContact O-N 3.08Å |
| 118 | V | 98.1 | Very high | 97.5 | Very high | 77 Ų | 77 | 109 Ų | 109 | 47% | 0.467 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65 | -38.4 | 178.6 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | T112 Q114 P115 A120 S121 | T112-V118 HydrophobicContact CG2-CB 4.38Å; T112-V118 HydrophobicContact CG2-CG2 3.93Å; T112-V118 WeakPolarHBondContact OG1-CG2 3.5Å; Q114-V118 PolarHBondContact O-N 2.97Å; Q114-V118 VanDerWaalsContact O-N 3.17Å; P115-V118 PolarHBondContact O-N 2.98Å; V118-A120 VanDerWaalsContact C-N 3.34Å; V118-S121 PolarHBondContact O-N 3.13Å; V118-S121 PolarHBondContact O-OG 3.02Å |
| 119 | L | 97.8 | Very high | 97.5 | Very high | 148 Ų | 148 | 105.1 Ų | 105.1 | 78% | 0.775 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -75.5 | -23.1 | 178.4 | -66.6 | 173.9 | 0 | 0 | 0 | 113.3 | P115 Q117 | P115-L119 WeakPolarHBondContact O-CB 3.39Å; P115-L119 VanDerWaalsContact O-CG 3.23Å; P115-L119 WeakPolarHBondContact O-CG 3.32Å; P115-L119 PolarHBondContact O-N 3.22Å; Q117-L119 VanDerWaalsContact C-N 3.33Å; Q117-L119 PolarHBondContact O-N 2.91Å |
| 120 | A | 97.9 | Very high | 97.4 | Very high | 85 Ų | 85 | 105.4 Ų | 105.4 | 70% | 0.702 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 1.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H116 Q117 V118 | H116-A120 WeakPolarHBondContact O-CB 3.47Å; H116-A120 PolarHBondContact O-N 3.3Å; Q117-A120 PolarHBondContact O-N 2.98Å; V118-A120 VanDerWaalsContact C-N 3.34Å |
| 121 | S | 98.1 | Very high | 97.3 | Very high | 72 Ų | 72 | 105.5 Ų | 105.5 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -67.8 | 167.5 | 176.3 | 73.8 | 0 | 0 | 0 | 0 | 111.1 | Q117 V118 | Q117-S121 PolarHBondContact O-N 3.32Å; Q117-S121 VanDerWaalsContact O-N 3.08Å; V118-S121 PolarHBondContact O-N 3.13Å; V118-S121 PolarHBondContact O-OG 3.02Å |
| 122 | E | 97.6 | Very high | 97.2 | Very high | 171 Ų | 171 | 101.4 Ų | 101.4 | 80% | 0.799 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 130.2 | 175.5 | -167.6 | 171.1 | -172.9 | 0 | 0 | 110.5 | ||
| 123 | P | 97.3 | Very high | 97 | Very high | 105 Ų | 105 | 104.7 Ų | 104.7 | 68% | 0.682 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 165.1 | 177.3 | 30.2 | -35.6 | 0 | 0 | 0 | 110.6 | P125 | P123-P125 WeakPolarHBondContact O-CD 3.35Š|
| 124 | I | 97.4 | Very high | 96.7 | Very high | 122 Ų | 122 | 104.8 Ų | 104.8 | 63% | 0.626 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 126.4 | 174.1 | -60.5 | 174.1 | 0 | 0 | 0 | 109 | D128 L129 | I124-D128 HydrophobicContact CG2-CB 4.05Å; I124-L129 HydrophobicContact CG2-CD2 4.32Å; I124-L129 HydrophobicContact CG2-CG 4.45Å |
| 125 | P | 97.9 | Very high | 96.2 | Very high | 62 Ų | 62 | 106.2 Ų | 106.2 | 40% | 0.403 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -57 | 142 | 177.9 | -26.2 | 35.1 | 0 | 0 | 0 | 112.3 | P123 S127 D128 | P123-P125 WeakPolarHBondContact O-CD 3.35Å; P125-S127 PolarHBondContact O-N 3.37Å; P125-D128 WeakPolarHBondContact O-CB 3.34Å; P125-D128 PolarHBondContact O-N 3.36Å; P125-D128 VanDerWaalsContact O-N 3.1Å |
| 126 | F | 97.4 | Very high | 95.7 | Very high | 139 Ų | 139 | 110.7 Ų | 110.7 | 61% | 0.61 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.2 | -29.4 | -178.3 | -175 | -114.2 | 0 | 0 | 0 | 113.2 | D128 L129 Q130 | F126-D128 PolarHBondContact O-N 3.49Å; F126-L129 HydrophobicContact CD2-CD1 4.45Å; F126-L129 PolarHBondContact O-N 3.3Å; F126-Q130 HydrophobicContact CD1-CG 4.08Å; F126-Q130 HydrophobicContact CE1-CG 3.75Å; F126-Q130 HydrophobicContact CZ-CG 3.99Å; F126-Q130 PolarHBondContact O-N 3.29Å |
| 127 | S | 97.4 | Very high | 94.9 | Very high | 71 Ų | 71 | 107 Ų | 107 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -55 | -38.8 | 174 | 49 | 0 | 0 | 0 | 0 | 112.4 | P125 Q130 Q131 | P125-S127 PolarHBondContact O-N 3.37Å; S127-Q130 PolarHBondContact O-N 2.89Å; S127-Q131 WeakPolarHBondContact O-CB 3.45Å; S127-Q131 PolarHBondContact O-N 3.32Å |
| 128 | D | 96.9 | Very high | 93.8 | Very high | 74 Ų | 74 | 104.6 Ų | 104.6 | 40% | 0.396 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.7 | -39.5 | -175.3 | -62.1 | 9.3 | 0 | 0 | 0 | 110 | I124 P125 F126 Q131 V132 | I124-D128 HydrophobicContact CG2-CB 4.05Å; P125-D128 WeakPolarHBondContact O-CB 3.34Å; P125-D128 PolarHBondContact O-N 3.36Å; P125-D128 VanDerWaalsContact O-N 3.1Å; F126-D128 PolarHBondContact O-N 3.49Å; D128-Q131 PolarHBondContact O-N 3.05Å; D128-V132 WeakPolarHBondContact O-CG2 3.49Å; D128-V132 PolarHBondContact O-N 3.17Å |
| 129 | L | 96.1 | Very high | 92.3 | Very high | 85 Ų | 85 | 106.5 Ų | 106.5 | 45% | 0.445 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.7 | -44.4 | 174.3 | -60.1 | 179.9 | 0 | 0 | 0 | 111.3 | I124 F126 Q131 V132 Q133 | I124-L129 HydrophobicContact CG2-CD2 4.32Å; I124-L129 HydrophobicContact CG2-CG 4.45Å; F126-L129 HydrophobicContact CD2-CD1 4.45Å; F126-L129 PolarHBondContact O-N 3.3Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 2.79Å; L129-V132 PolarHBondContact O-N 3.33Å; L129-Q133 WeakPolarHBondContact O-CG 3.46Å; L129-Q133 PolarHBondContact O-N 3.37Å |
| 130 | Q | 95.6 | Very high | 90.9 | Very high | 108 Ų | 108 | 105.5 Ų | 105.5 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.2 | -41.7 | 175.6 | -73.8 | -168.7 | -23.6 | 0 | 0 | 112 | F126 S127 Q133 L134 | F126-Q130 HydrophobicContact CD1-CG 4.08Å; F126-Q130 HydrophobicContact CE1-CG 3.75Å; F126-Q130 HydrophobicContact CZ-CG 3.99Å; F126-Q130 PolarHBondContact O-N 3.29Å; S127-Q130 PolarHBondContact O-N 2.89Å; Q130-Q133 PolarHBondContact O-N 3.49Å; Q130-L134 WeakPolarHBondContact O-CB 3.45Å; Q130-L134 PolarHBondContact O-N 2.89Å |
| 131 | Q | 94.5 | Very high | 89.3 | Confident | 115 Ų | 115 | 107.3 Ų | 107.3 | 54% | 0.537 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63 | -43.8 | 178 | -177.3 | 175.9 | -63.2 | 0 | 0 | 111.4 | S127 D128 L129 Q133 L134 F135 | S127-Q131 WeakPolarHBondContact O-CB 3.45Å; S127-Q131 PolarHBondContact O-N 3.32Å; D128-Q131 PolarHBondContact O-N 3.05Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 2.79Å; Q131-Q133 VanDerWaalsContact C-N 3.35Å; Q131-Q133 PolarHBondContact O-N 3.19Å; Q131-L134 WeakPolarHBondContact O-CB 3.46Å; Q131-L134 PolarHBondContact O-N 3.19Å; Q131-F135 HydrophobicContact CG-CD2 3.84Å; Q131-F135 HydrophobicContact CG-CE2 3.45Å; Q131-F135 VanDerWaalsContact CG-CE2 3.45Å; Q131-F135 HydrophobicContact CG-CZ 4.44Å; Q131-F135 WeakPolarHBondContact O-CD2 3.23Å; Q131-F135 PolarHBondContact O-N 3.03Å |
| 132 | V | 94.5 | Very high | 87 | Confident | 74 Ų | 74 | 116.2 Ų | 116.2 | 45% | 0.448 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.1 | -41.2 | 175.9 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | D128 L129 L134 F135 Q136 | D128-V132 WeakPolarHBondContact O-CG2 3.49Å; D128-V132 PolarHBondContact O-N 3.17Å; L129-V132 PolarHBondContact O-N 3.33Å; V132-L134 VanDerWaalsContact C-N 3.34Å; V132-F135 PolarHBondContact O-N 3.38Å; V132-Q136 WeakPolarHBondContact O-CG 3.42Å; V132-Q136 PolarHBondContact O-N 3.03Å |
| 133 | Q | 92.8 | Very high | 86.5 | Confident | 124 Ų | 124 | 113.5 Ų | 113.5 | 58% | 0.579 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.5 | -38.9 | 176 | -73.2 | 176.4 | -21.2 | 0 | 0 | 112.4 | L129 Q130 Q131 Q136 S137 | L129-Q133 WeakPolarHBondContact O-CG 3.46Å; L129-Q133 PolarHBondContact O-N 3.37Å; Q130-Q133 PolarHBondContact O-N 3.49Å; Q131-Q133 VanDerWaalsContact C-N 3.35Å; Q131-Q133 PolarHBondContact O-N 3.19Å; Q133-Q136 PolarHBondContact O-N 3.49Å; Q133-S137 WeakPolarHBondContact O-CB 3.37Å; Q133-S137 PolarHBondContact O-N 3.43Å; Q133-S137 PolarHBondContact O-OG 3.04Å |
| 134 | L | 91.5 | Very high | 85.9 | Confident | 110 Ų | 110 | 113.9 Ų | 113.9 | 58% | 0.576 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.4 | -47.9 | 173.9 | -177.5 | 64 | 0 | 0 | 0 | 110.5 | Q130 Q131 V132 Q136 S137 T138 | Q130-L134 WeakPolarHBondContact O-CB 3.45Å; Q130-L134 PolarHBondContact O-N 2.89Å; Q131-L134 WeakPolarHBondContact O-CB 3.46Å; Q131-L134 PolarHBondContact O-N 3.19Å; V132-L134 VanDerWaalsContact C-N 3.34Å; L134-Q136 VanDerWaalsContact C-N 3.32Å; L134-Q136 PolarHBondContact O-N 2.92Å; L134-S137 WeakPolarHBondContact CA-OG 3.06Å; L134-S137 PolarHBondContact O-N 3.1Å; L134-S137 VanDerWaalsContact O-N 3.13Å; L134-S137 PolarHBondContact O-OG 3.24Å; L134-T138 HydrophobicContact CD1-CG2 4.28Å; L134-T138 HydrophobicContact CG-CG2 4.43Å; L134-T138 WeakPolarHBondContact O-CG2 3.34Å; L134-T138 PolarHBondContact O-N 3.05Å; L134-T138 PolarHBondContact O-OG1 3.27Å |
| 135 | F | 87.9 | Confident | 85.3 | Confident | 142 Ų | 142 | 113.4 Ų | 113.4 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61 | -37.8 | 176.8 | -77.4 | -59.1 | 0 | 0 | 0 | 113.5 | Q131 V132 S137 T138 | Q131-F135 HydrophobicContact CG-CD2 3.84Å; Q131-F135 HydrophobicContact CG-CE2 3.45Å; Q131-F135 VanDerWaalsContact CG-CE2 3.45Å; Q131-F135 HydrophobicContact CG-CZ 4.44Å; Q131-F135 WeakPolarHBondContact O-CD2 3.23Å; Q131-F135 PolarHBondContact O-N 3.03Å; V132-F135 PolarHBondContact O-N 3.38Å; F135-S137 VanDerWaalsContact C-N 3.31Å; F135-T138 WeakPolarHBondContact CA-OG1 3.2Å; F135-T138 PolarHBondContact O-OG1 3.31Å |
| 136 | Q | 86.1 | Confident | 84.6 | Confident | 156 Ų | 156 | 116.5 Ų | 116.5 | 73% | 0.729 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.7 | -28.1 | 176.6 | -72.6 | 179.8 | 8.5 | 0 | 0 | 113.1 | V132 Q133 L134 | V132-Q136 WeakPolarHBondContact O-CG 3.42Å; V132-Q136 PolarHBondContact O-N 3.03Å; Q133-Q136 PolarHBondContact O-N 3.49Å; L134-Q136 VanDerWaalsContact C-N 3.32Å; L134-Q136 PolarHBondContact O-N 2.92Å |
| 137 | S | 80.9 | Confident | 83.7 | Confident | 87 Ų | 87 | 115.1 Ų | 115.1 | 61% | 0.608 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -94.4 | -17.2 | -177.5 | 55 | 0 | 0 | 0 | 0 | 113.6 | Q133 L134 F135 P139 | Q133-S137 WeakPolarHBondContact O-CB 3.37Å; Q133-S137 PolarHBondContact O-N 3.43Å; Q133-S137 PolarHBondContact O-OG 3.04Å; L134-S137 WeakPolarHBondContact CA-OG 3.06Å; L134-S137 PolarHBondContact O-N 3.1Å; L134-S137 VanDerWaalsContact O-N 3.13Å; L134-S137 PolarHBondContact O-OG 3.24Å; F135-S137 VanDerWaalsContact C-N 3.31Å; S137-P139 WeakPolarHBondContact O-CD 3.39Å |
| 138 | T | 76.1 | Confident | 82.8 | Confident | 70 Ų | 70 | 118 Ų | 118 | 43% | 0.429 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -74.8 | 116.6 | 170.2 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | L134 F135 C140 | L134-T138 HydrophobicContact CD1-CG2 4.28Å; L134-T138 HydrophobicContact CG-CG2 4.43Å; L134-T138 WeakPolarHBondContact O-CG2 3.34Å; L134-T138 PolarHBondContact O-N 3.05Å; L134-T138 PolarHBondContact O-OG1 3.27Å; F135-T138 WeakPolarHBondContact CA-OG1 3.2Å; F135-T138 PolarHBondContact O-OG1 3.31Å; T138-C140 PolarHBondContact O-N 2.91Å |
| 139 | P | 67.3 | Low | 81.8 | Confident | 117 Ų | 117 | 121.1 Ų | 121.1 | 76% | 0.76 | 65% | 0.654 | S | S | * | * | trans | -59.7 | 134.1 | 169.2 | 24.7 | -30.7 | 0 | 0 | 0 | 108.4 | S137 S141 | S137-P139 WeakPolarHBondContact O-CD 3.39Å; P139-S141 PolarHBondContact O-N 3.08Å | ||
| 140 | C | 67.8 | Low | 80.7 | Confident | 126 Ų | 126 | 123.9 Ų | 123.9 | 85% | 0.851 | 67% | 0.671 | S | S | * | * | trans | -56.4 | 108.7 | 171.7 | -142.9 | 0 | 0 | 0 | 0 | 106.8 | T138 Q142 | T138-C140 PolarHBondContact O-N 2.91Å; C140-Q142 PolarHBondContact O-N 3.34Å | ||
| 141 | S | 64.1 | Low | 79.5 | Confident | 123 Ų | 123 | 125.3 Ų | 125.3 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | trans | -67.2 | 105 | -179.9 | -151.3 | 0 | 0 | 0 | 0 | 106.9 | P139 | P139-S141 PolarHBondContact O-N 3.08Š| ||
| 142 | Q | 50.4 | Low | 78.1 | Confident | 259 Ų | 259 | 126.2 Ų | 126.2 | 100% | 1.21 | 70% | 0.698 | S | S | * | * | trans | -75.7 | 0 | 166.7 | -72.5 | -152.7 | 99.4 | 0 | 0 | 110.3 | C140 | C140-Q142 PolarHBondContact O-N 3.34Š|
Retrieved 142 of 142 residues in 86 ms
(Link to these results)