| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.7 | Very low | 31.6 | Very low | 235 Ų | 235 | 133.4 Ų | 133.4 | 100% | 1.158 | 77% | 0.768 | S | S | * | * | 0 | 138.2 | 0 | -164.7 | 165.9 | -176.6 | 0 | 0 | 106 | |||||
| 2 | V | 37.3 | Very low | 31.6 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | 70.8 | 117.5 | -153.5 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | E | 27.8 | Very low | 31.2 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | cis | 74 | 145.5 | 36.6 | -58.5 | -150.1 | 102.1 | 0 | 0 | 113.7 | ||||
| 4 | K | 30.7 | Very low | 30.9 | Very low | 176 Ų | 176 | 129.6 Ų | 129.6 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | cis | -160.5 | 178 | -0.1 | -131.8 | 171.7 | -179.5 | 129.7 | 0 | 110.1 | ||||
| 5 | G | 30.3 | Very low | 31 | Very low | 61 Ų | 61 | 130.5 Ų | 130.5 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | trans | 106 | 127.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 6 | S | 31.1 | Very low | 30.9 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | cis | 64.3 | 135.2 | 13.1 | 17.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 7 | D | 28.9 | Very low | 30.8 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | cis | -156.3 | -179.9 | 8.5 | -123.8 | -44.3 | 0 | 0 | 0 | 115.5 | ||||
| 8 | S | 31.1 | Very low | 30.7 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | -23.1 | 173.3 | 165.7 | 92 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 9 | S | 29.6 | Very low | 30.5 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | cis | 179.7 | 168 | -10.8 | 44.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 10 | S | 30.4 | Very low | 30.4 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | 176.3 | 119.9 | 150.7 | -81.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 11 | E | 29.4 | Very low | 30.7 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | 76.8 | 146.4 | 88.9 | -68.5 | -147.6 | 127.5 | 0 | 0 | 115.8 | |||||
| 12 | K | 31.9 | Very low | 30.3 | Very low | 167 Ų | 167 | 125 Ų | 125 | 73% | 0.726 | 76% | 0.761 | S | S | * | * | cis | -153.5 | -177.5 | 4.3 | -122.2 | 163.4 | 179.1 | 133 | 0 | 108.2 | ||||
| 13 | S | 26.9 | Very low | 30.5 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | cis | -133 | -135.2 | 9.2 | 56.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 14 | G | 27.1 | Very low | 30.7 | Very low | 64 Ų | 64 | 125.6 Ų | 125.6 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | cis | 138.5 | 132.3 | 9.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 15 | V | 32.1 | Very low | 30.8 | Very low | 143 Ų | 143 | 119.9 Ų | 119.9 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | cis | -150.7 | 160.6 | 16.9 | 173.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 16 | S | 29 | Very low | 31.4 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -35.1 | 157.7 | -179.2 | -43.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 17 | G | 29.3 | Very low | 32 | Very low | 72 Ų | 72 | 128.4 Ų | 128.4 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -176.6 | 147 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 18 | T | 29.8 | Very low | 33 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -153.5 | 175.6 | -173.7 | 57 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 19 | L | 27.2 | Very low | 33.6 | Very low | 145 Ų | 145 | 133 Ų | 133 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | cis | -159.2 | 162.6 | 14.3 | -163.6 | 66.9 | 0 | 0 | 0 | 111.5 | ||||
| 20 | S | 27.6 | Very low | 34.9 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 75.3 | 162.2 | 151.9 | 72 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 21 | T | 37.6 | Very low | 35.9 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -98 | 147 | -167.1 | -39.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 22 | Q | 30.6 | Very low | 37.1 | Very low | 197 Ų | 197 | 139.4 Ų | 139.4 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -164.8 | 155.4 | 143.7 | -111.2 | 148.5 | 102.5 | 0 | 0 | 112.2 | ||||
| 23 | S | 41.8 | Very low | 38.2 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -112.3 | 152.9 | 174.1 | 66.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 24 | L | 32.5 | Very low | 39.6 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 97% | 0.974 | 78% | 0.78 | S | S | * | * | trans | 178.2 | 152.9 | 151.7 | -102.1 | 156.9 | 0 | 0 | 0 | 110.6 | ||||
| 25 | G | 32.2 | Very low | 40.9 | Very low | 55 Ų | 55 | 141.6 Ų | 141.6 | 57% | 0.567 | 78% | 0.776 | S | S | * | * | trans | 117 | 49.6 | 160 | 0 | 0 | 0 | 0 | 0 | 118.6 | R27 | G25-R27 PolarHBondContact O-N 3.05Š| ||
| 26 | S | 42.7 | Very low | 41.8 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -61 | 91.6 | 165.8 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 27 | R | 45.4 | Very low | 43.1 | Very low | 222 Ų | 222 | 141.8 Ų | 141.8 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -86 | 117.7 | 177.7 | -71.6 | -176 | 177.7 | 174.1 | 1.1 | 110.9 | G25 F29 | G25-R27 PolarHBondContact O-N 3.05Å; R27-F29 PolarHBondContact O-N 2.98Å | ||
| 28 | N | 49.7 | Very low | 44.4 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | -60.5 | 100.6 | -174.5 | -70.5 | -39 | 0 | 0 | 0 | 113.7 | I30 | N28-I30 PolarHBondContact O-N 2.96Å; N28-I30 VanDerWaalsContact O-N 3.14Å | ||
| 29 | F | 44.1 | Very low | 45.9 | Very low | 202 Ų | 202 | 142.5 Ų | 142.5 | 89% | 0.886 | 73% | 0.729 | S | S | * | * | trans | -83.4 | 36.9 | 170.4 | -104.7 | -86.8 | 0 | 0 | 0 | 113.6 | R27 R31 | R27-F29 PolarHBondContact O-N 2.98Å; F29-R31 VanDerWaalsContact C-N 3.26Å; F29-R31 PolarHBondContact O-N 3.45Å | ||
| 30 | I | 55.2 | Low | 47.4 | Very low | 150 Ų | 150 | 143.6 Ų | 143.6 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | trans | -80.2 | 73.7 | 173.6 | -51 | 179.3 | 0 | 0 | 0 | 109.3 | N28 | N28-I30 PolarHBondContact O-N 2.96Å; N28-I30 VanDerWaalsContact O-N 3.14Å | ||
| 31 | R | 52.6 | Low | 48.8 | Very low | 237 Ų | 237 | 140.3 Ų | 140.3 | 89% | 0.894 | 70% | 0.702 | S | S | * | * | trans | -145.7 | 121.5 | 168 | -106.6 | 169.9 | -169.8 | -173.5 | 1.9 | 113.3 | F29 | F29-R31 VanDerWaalsContact C-N 3.26Å; F29-R31 PolarHBondContact O-N 3.45Å | ||
| 32 | N | 54.5 | Low | 49.6 | Very low | 106 Ų | 106 | 141 Ų | 141 | 57% | 0.567 | 70% | 0.698 | S | S | * | * | trans | 82.3 | 31 | 149.6 | -152 | 28.8 | 0 | 0 | 0 | 121.3 | K34 K35 | N32-K34 VanDerWaalsContact C-N 3.26Å; N32-K34 PolarHBondContact O-N 3.14Å; N32-K35 WeakPolarHBondContact ND2-CB 3.44Å; N32-K35 PolarHBondContact O-N 3.22Å; N32-K35 WeakPolarHBondContact OD1-CB 3.16Å | ||
| 33 | S | 54.8 | Low | 51.1 | Low | 84 Ų | 84 | 138.4 Ų | 138.4 | 59% | 0.587 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -50.1 | -41.6 | 168.3 | 168.1 | 0 | 0 | 0 | 0 | 113.9 | K35 M36 Q37 | S33-K35 VanDerWaalsContact C-N 3.26Å; S33-K35 PolarHBondContact O-N 3.02Å; S33-K35 VanDerWaalsContact O-N 3.14Å; S33-M36 PolarHBondContact O-N 3.38Å; S33-M36 VanDerWaalsContact O-N 3.13Å; S33-Q37 PolarHBondContact O-N 3.29Å |
| 34 | K | 55.9 | Low | 51.7 | Low | 175 Ų | 175 | 136.4 Ų | 136.4 | 76% | 0.761 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -56.2 | -33.1 | -176.7 | -66.6 | -173.2 | 177.5 | -176.2 | 0 | 114.2 | N32 | N32-K34 VanDerWaalsContact C-N 3.26Å; N32-K34 PolarHBondContact O-N 3.14Å |
| 35 | K | 53.8 | Low | 53.3 | Low | 133 Ų | 133 | 130.5 Ų | 130.5 | 58% | 0.578 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -78.4 | -29.1 | -177.9 | -152 | 173.6 | -172.1 | -177.6 | 0 | 112.5 | N32 S33 | N32-K35 WeakPolarHBondContact ND2-CB 3.44Å; N32-K35 PolarHBondContact O-N 3.22Å; N32-K35 WeakPolarHBondContact OD1-CB 3.16Å; S33-K35 VanDerWaalsContact C-N 3.26Å; S33-K35 PolarHBondContact O-N 3.02Å; S33-K35 VanDerWaalsContact O-N 3.14Å |
| 36 | M | 51.2 | Low | 55.6 | Low | 142 Ų | 142 | 131.1 Ų | 131.1 | 70% | 0.7 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.5 | -41.1 | 172.5 | -74.1 | -178.9 | 68.6 | 0 | 0 | 112 | S33 S38 W39 Y40 | S33-M36 PolarHBondContact O-N 3.38Å; S33-M36 VanDerWaalsContact O-N 3.13Å; M36-S38 PolarHBondContact O-N 3.34Å; M36-W39 PolarHBondContact O-N 2.85Å; M36-Y40 PolarHBondContact O-N 3.37Å |
| 37 | Q | 56.5 | Low | 57.3 | Low | 125 Ų | 125 | 129.1 Ų | 129.1 | 58% | 0.584 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -56.8 | -39.4 | 177.1 | -69.9 | -179.5 | -37.5 | 0 | 0 | 112.4 | S33 Y40 S41 | S33-Q37 PolarHBondContact O-N 3.29Å; Q37-Y40 PolarHBondContact O-N 3.19Å; Q37-S41 WeakPolarHBondContact O-CB 3.33Å; Q37-S41 PolarHBondContact O-N 3.29Å; Q37-S41 PolarHBondContact O-OG 3.41Å |
| 38 | S | 57 | Low | 59 | Low | 50 Ų | 50 | 125.9 Ų | 125.9 | 35% | 0.35 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.3 | -48.2 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 112.8 | M36 S41 M42 | M36-S38 PolarHBondContact O-N 3.34Å; S38-S41 PolarHBondContact O-N 3.36Å; S38-S41 PolarHBondContact O-OG 3.03Å; S38-M42 WeakPolarHBondContact O-CG 3.3Å; S38-M42 PolarHBondContact O-N 3.13Å |
| 39 | W | 61.5 | Low | 60.6 | Low | 173 Ų | 173 | 122 Ų | 122 | 66% | 0.655 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.5 | -37.3 | 179.3 | -75.1 | 65.1 | 0 | 0 | 0 | 111.9 | M36 S41 M42 L43 | M36-W39 PolarHBondContact O-N 2.85Å; W39-S41 PolarHBondContact O-N 3.41Å; W39-M42 PolarHBondContact O-N 2.84Å; W39-L43 WeakPolarHBondContact O-CG 3.44Å; W39-L43 PolarHBondContact O-N 3.19Å |
| 40 | Y | 57.6 | Low | 62.5 | Low | 167 Ų | 167 | 116.4 Ų | 116.4 | 66% | 0.655 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.8 | -40.5 | 176.4 | -128.7 | -96.5 | 0 | 0 | 0 | 112 | M36 Q37 M42 L43 C44 | M36-Y40 PolarHBondContact O-N 3.37Å; Q37-Y40 PolarHBondContact O-N 3.19Å; Y40-M42 VanDerWaalsContact C-N 3.29Å; Y40-M42 PolarHBondContact O-N 2.87Å; Y40-L43 PolarHBondContact O-N 2.84Å; Y40-C44 PolarHBondContact O-N 2.99Å; Y40-C44 PolarHBondContact O-SG 3.04Å |
| 41 | S | 57.1 | Low | 64 | Low | 41 Ų | 41 | 110.4 Ų | 110.4 | 29% | 0.287 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.1 | -21.8 | 177.9 | 69 | 0 | 0 | 0 | 0 | 114.1 | Q37 S38 W39 | Q37-S41 WeakPolarHBondContact O-CB 3.33Å; Q37-S41 PolarHBondContact O-N 3.29Å; Q37-S41 PolarHBondContact O-OG 3.41Å; S38-S41 PolarHBondContact O-N 3.36Å; S38-S41 PolarHBondContact O-OG 3.03Å; W39-S41 PolarHBondContact O-N 3.41Å |
| 42 | M | 55.7 | Low | 65.6 | Low | 141 Ų | 141 | 104 Ų | 104 | 70% | 0.695 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -77.4 | -34.5 | 169.6 | -68.5 | 175.3 | 178.6 | 0 | 0 | 112.7 | S38 W39 Y40 | S38-M42 WeakPolarHBondContact O-CG 3.3Å; S38-M42 PolarHBondContact O-N 3.13Å; W39-M42 PolarHBondContact O-N 2.84Å; Y40-M42 VanDerWaalsContact C-N 3.29Å; Y40-M42 PolarHBondContact O-N 2.87Å |
| 43 | L | 61.8 | Low | 67.1 | Low | 141 Ų | 141 | 102.1 Ų | 102.1 | 74% | 0.738 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -82.1 | -34.1 | -178.8 | -68.6 | 169.5 | 0 | 0 | 0 | 113.1 | W39 Y40 | W39-L43 WeakPolarHBondContact O-CG 3.44Å; W39-L43 PolarHBondContact O-N 3.19Å; Y40-L43 PolarHBondContact O-N 2.84Å |
| 44 | C | 54.8 | Low | 68.7 | Low | 64 Ų | 64 | 98.2 Ų | 98.2 | 43% | 0.432 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -131.1 | 94.3 | 171 | 58.4 | 0 | 0 | 0 | 0 | 110.5 | Y40 T46 | Y40-C44 PolarHBondContact O-N 2.99Å; Y40-C44 PolarHBondContact O-SG 3.04Å; C44-T46 PolarHBondContact O-N 3.18Å |
| 45 | P | 65.7 | Low | 70.3 | Confident | 63 Ų | 63 | 95.1 Ų | 95.1 | 41% | 0.409 | 45% | 0.452 | S | S | . | . | trans | -62.3 | 123.2 | 177.2 | 25 | -33.7 | 0 | 0 | 0 | 109.8 | R50 | P45-R50 HydrophobicContact CB-CG 4.32Å; P45-R50 HydrophobicContact CG-CG 4.43Å; P45-R50 PolarHBondContact O-NE 2.99Å | ||
| 46 | T | 79.9 | Confident | 71.9 | Confident | 68 Ų | 68 | 95 Ų | 95 | 42% | 0.417 | 45% | 0.452 | S | S | . | . | trans | -61.5 | 155.5 | -176.1 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | C44 K48 Q49 R50 | C44-T46 PolarHBondContact O-N 3.18Å; T46-K48 PolarHBondContact O-N 3.2Å; T46-Q49 PolarHBondContact O-N 2.96Å; T46-Q49 VanDerWaalsContact O-N 3.1Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.3Å; T46-Q49 PolarHBondContact OG1-N 2.88Å; T46-Q49 PolarHBondContact OG1-OE1 2.76Å; T46-R50 PolarHBondContact O-N 3.39Å | ||
| 47 | Y | 78.8 | Confident | 73.6 | Confident | 82 Ų | 82 | 90.7 Ų | 90.7 | 32% | 0.322 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -54.2 | -35.8 | 175.3 | 172.8 | -86 | 0 | 0 | 0 | 112.4 | R50 N51 R66 L67 | Y47-R50 PolarHBondContact O-N 2.93Å; Y47-N51 WeakPolarHBondContact O-CB 3.45Å; Y47-N51 PolarHBondContact O-N 3.31Å; Y47-R66 WeakPolarHBondContact OH-CG 3.43Å; Y47-R66 PolarHBondContact OH-NE 3.43Å; Y47-L67 WeakPolarHBondContact CE2-O 3.39Å; Y47-L67 PolarHBondContact OH-O 2.67Å |
| 48 | K | 79.9 | Confident | 75.1 | Confident | 154 Ų | 154 | 85.3 Ų | 85.3 | 67% | 0.67 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.7 | -51.3 | 174.6 | -70.7 | -169.7 | 175.3 | -171.9 | 0 | 111.9 | T46 R50 N51 E52 | T46-K48 PolarHBondContact O-N 3.2Å; K48-R50 PolarHBondContact O-N 2.93Å; K48-N51 PolarHBondContact O-N 2.78Å; K48-N51 VanDerWaalsContact O-N 3.16Å; K48-E52 WeakPolarHBondContact O-CG 3.47Å; K48-E52 PolarHBondContact O-N 2.81Å |
| 49 | Q | 83.3 | Confident | 76.3 | Confident | 63 Ų | 63 | 87.5 Ų | 87.5 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 178.4 | -70.4 | 161.6 | -63.8 | 0 | 0 | 111.5 | T46 N51 E52 D53 | T46-Q49 PolarHBondContact O-N 2.96Å; T46-Q49 VanDerWaalsContact O-N 3.1Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.3Å; T46-Q49 PolarHBondContact OG1-N 2.88Å; T46-Q49 PolarHBondContact OG1-OE1 2.76Å; Q49-N51 VanDerWaalsContact C-N 3.3Å; Q49-N51 PolarHBondContact O-N 2.98Å; Q49-E52 PolarHBondContact O-N 3.01Å; Q49-E52 VanDerWaalsContact O-N 3.17Å; Q49-D53 VanDerWaalsContact O-CG 3.29Å; Q49-D53 PolarHBondContact O-N 3.47Å |
| 50 | R | 84 | Confident | 77.2 | Confident | 85 Ų | 85 | 89.2 Ų | 89.2 | 32% | 0.321 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.2 | -36.4 | 176.3 | -75.5 | -170.7 | -80.1 | 147.7 | -3.6 | 113.2 | P45 T46 Y47 K48 F54 L67 D70 | P45-R50 HydrophobicContact CB-CG 4.32Å; P45-R50 HydrophobicContact CG-CG 4.43Å; P45-R50 PolarHBondContact O-NE 2.99Å; T46-R50 PolarHBondContact O-N 3.39Å; Y47-R50 PolarHBondContact O-N 2.93Å; K48-R50 PolarHBondContact O-N 2.93Å; R50-F54 WeakPolarHBondContact O-CB 3.16Å; R50-F54 PolarHBondContact O-N 2.85Å; R50-L67 HydrophobicContact CB-CD2 3.91Å; R50-L67 WeakPolarHBondContact O-CD2 3.44Å; R50-D70 WeakPolarHBondContact CD-OD1 3.49Å; R50-D70 IonicContact CZ-OD1 3.43Å; R50-D70 IonicContact NE-OD1 2.68Å; R50-D70 IonicContact NH1-OD1 3.27Å; R50-D70 PolarHBondContact NH1-OD1 2.86Å |
| 51 | N | 86.7 | Confident | 78.5 | Confident | 24 Ų | 24 | 82.6 Ų | 82.6 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.8 | -39.2 | 174.5 | -173.1 | 95.6 | 0 | 0 | 0 | 112.2 | Y47 K48 Q49 F54 R55 L67 | Y47-N51 WeakPolarHBondContact O-CB 3.45Å; Y47-N51 PolarHBondContact O-N 3.31Å; K48-N51 PolarHBondContact O-N 2.78Å; K48-N51 VanDerWaalsContact O-N 3.16Å; Q49-N51 VanDerWaalsContact C-N 3.3Å; Q49-N51 PolarHBondContact O-N 2.98Å; N51-F54 PolarHBondContact O-N 3.41Å; N51-R55 WeakPolarHBondContact O-CG 3.23Å; N51-R55 PolarHBondContact O-N 2.91Å; N51-L67 HydrophobicContact CB-CB 4.22Å; N51-L67 WeakPolarHBondContact OD1-CB 3.4Å; N51-L67 PolarHBondContact OD1-N 3.16Å |
| 52 | E | 86.9 | Confident | 79.9 | Confident | 102 Ų | 102 | 83.8 Ų | 83.8 | 48% | 0.477 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 173.4 | -73 | 165.7 | -148.8 | 0 | 0 | 111.7 | K48 Q49 R55 K56 | K48-E52 WeakPolarHBondContact O-CG 3.47Å; K48-E52 PolarHBondContact O-N 2.81Å; Q49-E52 PolarHBondContact O-N 3.01Å; Q49-E52 VanDerWaalsContact O-N 3.17Å; E52-R55 PolarHBondContact O-N 3.09Å; E52-K56 WeakPolarHBondContact O-CE 3.35Å; E52-K56 WeakPolarHBondContact O-CG 3.39Å; E52-K56 PolarHBondContact O-N 2.71Å |
| 53 | D | 87.3 | Confident | 80.9 | Confident | 67 Ų | 67 | 84 Ų | 84 | 36% | 0.358 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 176.9 | -65.2 | -28.5 | 0 | 0 | 0 | 111.4 | Q49 R55 K56 L57 | Q49-D53 VanDerWaalsContact O-CG 3.29Å; Q49-D53 PolarHBondContact O-N 3.47Å; D53-R55 VanDerWaalsContact C-N 3.34Å; D53-R55 PolarHBondContact O-N 2.95Å; D53-K56 WeakPolarHBondContact O-CB 3.49Å; D53-K56 PolarHBondContact O-N 3.42Å; D53-K56 VanDerWaalsContact O-N 3.13Å; D53-K56 IonicContact OD1-NZ 2.76Å; D53-K56 PolarHBondContact OD1-NZ 2.76Å; D53-L57 WeakPolarHBondContact O-CG 3.31Å; D53-L57 PolarHBondContact O-N 3.13Å |
| 54 | F | 88.4 | Confident | 81.9 | Confident | 2 Ų | 2 | 81.4 Ų | 81.4 | 1% | 0.009 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -55.5 | -45.8 | 169.5 | 170.3 | -105.9 | 0 | 0 | 0 | 112.1 | R50 N51 K56 L57 F58 L61 L67 Y86 C93 | R50-F54 WeakPolarHBondContact O-CB 3.16Å; R50-F54 PolarHBondContact O-N 2.85Å; N51-F54 PolarHBondContact O-N 3.41Å; F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 2.83Å; F54-L57 PolarHBondContact O-N 2.82Å; F54-F58 AromaticContact CD2-CD2 3.47Å; F54-F58 HydrophobicContact CD2-CD2 3.47Å; F54-F58 VanDerWaalsContact CD2-CD2 3.47Å; F54-F58 AromaticContact CD2-CE2 3.99Å; F54-F58 HydrophobicContact CD2-CE2 3.99Å; F54-F58 HydrophobicContact CD2-CG 4.39Å; F54-F58 HydrophobicContact CE2-CB 4.37Å; F54-F58 AromaticContact CE2-CD2 3.57Å; F54-F58 HydrophobicContact CE2-CD2 3.57Å; F54-F58 HydrophobicContact CE2-CE2 4.15Å; F54-F58 HydrophobicContact CE2-CG 4.14Å; F54-F58 HydrophobicContact CG-CD2 4.42Å; F54-F58 PolarHBondContact O-N 2.97Å; F54-L61 HydrophobicContact CE1-CD1 4.14Å; F54-L61 HydrophobicContact CE2-CD1 4.14Å; F54-L61 HydrophobicContact CZ-CD1 3.48Å; F54-L61 VanDerWaalsContact CZ-CD1 3.48Å; F54-L67 HydrophobicContact CB-CB 4.29Å; F54-L67 HydrophobicContact CB-CD2 4.14Å; F54-L67 HydrophobicContact CD1-CB 3.96Å; F54-L67 HydrophobicContact CD2-CD1 4.3Å; F54-L67 HydrophobicContact CG-CB 4.14Å; F54-L67 HydrophobicContact CG-CD1 4.33Å; F54-Y86 HydrophobicContact CB-CD1 4.16Å; F54-Y86 HydrophobicContact CB-CE1 4.41Å; F54-Y86 AromaticContact CD2-CD1 3.7Å; F54-Y86 HydrophobicContact CD2-CD1 3.7Å; F54-Y86 AromaticContact CD2-CG 3.76Å; F54-Y86 HydrophobicContact CD2-CG 3.76Å; F54-Y86 HydrophobicContact CE2-CG 4.29Å; F54-Y86 HydrophobicContact CG-CD1 4.33Å; F54-C93 HydrophobicContact CE2-CB 4.06Å |
| 55 | R | 87.6 | Confident | 83.4 | Confident | 110 Ų | 110 | 79 Ų | 79 | 42% | 0.415 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.5 | -23.8 | 177 | -64.9 | -141.4 | -68.7 | 147.7 | -17.6 | 114 | N51 E52 D53 S59 E63 | N51-R55 WeakPolarHBondContact O-CG 3.23Å; N51-R55 PolarHBondContact O-N 2.91Å; E52-R55 PolarHBondContact O-N 3.09Å; D53-R55 VanDerWaalsContact C-N 3.34Å; D53-R55 PolarHBondContact O-N 2.95Å; R55-S59 WeakPolarHBondContact O-CA 3.39Å; R55-S59 PolarHBondContact O-N 3.27Å; R55-E63 IonicContact CZ-OE1 3.7Å; R55-E63 VanDerWaalsContact CZ-OE1 3.27Å; R55-E63 VanDerWaalsContact NH1-CD 3.3Å; R55-E63 IonicContact NH1-OE1 2.68Å; R55-E63 PolarHBondContact NH1-OE1 3.06Å; R55-E63 IonicContact NH2-OE1 3.18Å; R55-E63 PolarHBondContact NH2-OE1 3.29Å |
| 56 | K | 87.9 | Confident | 84.4 | Confident | 131 Ų | 131 | 82.2 Ų | 82.2 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -72.9 | -47.1 | 170.4 | -65.9 | 162.7 | -151.8 | 161.9 | 0 | 111.3 | E52 D53 F54 | E52-K56 WeakPolarHBondContact O-CE 3.35Å; E52-K56 WeakPolarHBondContact O-CG 3.39Å; E52-K56 PolarHBondContact O-N 2.71Å; D53-K56 WeakPolarHBondContact O-CB 3.49Å; D53-K56 PolarHBondContact O-N 3.42Å; D53-K56 VanDerWaalsContact O-N 3.13Å; D53-K56 IonicContact OD1-NZ 2.76Å; D53-K56 PolarHBondContact OD1-NZ 2.76Å; F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 2.83Å |
| 57 | L | 88 | Confident | 84.9 | Confident | 52 Ų | 52 | 79 Ų | 79 | 27% | 0.272 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | -179.4 | -65.3 | -180 | 0 | 0 | 0 | 112.5 | D53 F54 Y86 Y95 | D53-L57 WeakPolarHBondContact O-CG 3.31Å; D53-L57 PolarHBondContact O-N 3.13Å; F54-L57 PolarHBondContact O-N 2.82Å; L57-Y86 HydrophobicContact CD1-CE2 4.31Å; L57-Y86 WeakPolarHBondContact CD1-OH 3.43Å; L57-Y95 HydrophobicContact CB-CD2 4.4Å; L57-Y95 HydrophobicContact CD1-CD1 4.36Å; L57-Y95 HydrophobicContact CD1-CD2 4.09Å; L57-Y95 HydrophobicContact CD1-CG 4.01Å; L57-Y95 HydrophobicContact CD2-CD2 3.89Å; L57-Y95 HydrophobicContact CD2-CE2 3.59Å; L57-Y95 HydrophobicContact CD2-CG 4.5Å; L57-Y95 HydrophobicContact CG-CD2 4.35Å |
| 58 | F | 87.1 | Confident | 85.5 | Confident | 11 Ų | 11 | 77.9 Ų | 77.9 | 5% | 0.048 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 46.8 | -175.6 | -59.3 | -81.2 | 0 | 0 | 0 | 111.8 | F54 K60 L61 Y86 C93 T104 | F54-F58 AromaticContact CD2-CD2 3.47Å; F54-F58 HydrophobicContact CD2-CD2 3.47Å; F54-F58 VanDerWaalsContact CD2-CD2 3.47Å; F54-F58 AromaticContact CD2-CE2 3.99Å; F54-F58 HydrophobicContact CD2-CE2 3.99Å; F54-F58 HydrophobicContact CD2-CG 4.39Å; F54-F58 HydrophobicContact CE2-CB 4.37Å; F54-F58 AromaticContact CE2-CD2 3.57Å; F54-F58 HydrophobicContact CE2-CD2 3.57Å; F54-F58 HydrophobicContact CE2-CE2 4.15Å; F54-F58 HydrophobicContact CE2-CG 4.14Å; F54-F58 HydrophobicContact CG-CD2 4.42Å; F54-F58 PolarHBondContact O-N 2.97Å; F58-K60 PolarHBondContact O-N 2.98Å; F58-L61 HydrophobicContact CB-CD1 3.54Å; F58-L61 HydrophobicContact CB-CG 3.91Å; F58-L61 HydrophobicContact CG-CD1 4.29Å; F58-L61 WeakPolarHBondContact O-CB 3.47Å; F58-L61 PolarHBondContact O-N 3.47Å; F58-Y86 AromaticContact CE2-CD2 3.77Å; F58-Y86 HydrophobicContact CE2-CD2 3.77Å; F58-Y86 HydrophobicContact CE2-CE2 4.11Å; F58-Y86 HydrophobicContact CE2-CG 4.24Å; F58-Y86 HydrophobicContact CZ-CD2 4.29Å; F58-C93 HydrophobicContact CD1-CB 3.98Å; F58-C93 HydrophobicContact CD2-CB 4.27Å; F58-C93 HydrophobicContact CE1-CB 3.66Å; F58-C93 HydrophobicContact CE2-CB 3.98Å; F58-C93 HydrophobicContact CG-CB 4.27Å; F58-C93 HydrophobicContact CZ-CB 3.66Å; F58-T104 HydrophobicContact CE1-CG2 3.94Å; F58-T104 HydrophobicContact CZ-CG2 4.39Å |
| 59 | S | 82 | Confident | 86.1 | Confident | 96 Ų | 96 | 72.2 Ų | 72.2 | 67% | 0.671 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -6.1 | 179.9 | 57.1 | 0 | 0 | 0 | 0 | 115.8 | R55 | R55-S59 WeakPolarHBondContact O-CA 3.39Å; R55-S59 PolarHBondContact O-N 3.27Å |
| 60 | K | 81.3 | Confident | 86.5 | Confident | 210 Ų | 210 | 69.8 Ų | 69.8 | 91% | 0.913 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -7.5 | 173.8 | -60.9 | -179.8 | -178.5 | 176.4 | 0 | 113.9 | F58 | F58-K60 PolarHBondContact O-N 2.98Š|
| 61 | L | 85 | Confident | 86.9 | Confident | 27 Ų | 27 | 67.9 Ų | 67.9 | 14% | 0.141 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -80.6 | 156.1 | 178 | -65.7 | 177.5 | 0 | 0 | 0 | 111.8 | F54 F58 W91 | F54-L61 HydrophobicContact CE1-CD1 4.14Å; F54-L61 HydrophobicContact CE2-CD1 4.14Å; F54-L61 HydrophobicContact CZ-CD1 3.48Å; F54-L61 VanDerWaalsContact CZ-CD1 3.48Å; F58-L61 HydrophobicContact CB-CD1 3.54Å; F58-L61 HydrophobicContact CB-CG 3.91Å; F58-L61 HydrophobicContact CG-CD1 4.29Å; F58-L61 WeakPolarHBondContact O-CB 3.47Å; F58-L61 PolarHBondContact O-N 3.47Å; L61-W91 HydrophobicContact CD2-CD2 3.49Å; L61-W91 VanDerWaalsContact CD2-CD2 3.49Å; L61-W91 HydrophobicContact CD2-CE3 3.71Å; L61-W91 HydrophobicContact CD2-CG 3.92Å; L61-W91 HydrophobicContact CD2-CH2 4.15Å; L61-W91 HydrophobicContact CD2-CZ2 3.98Å; L61-W91 HydrophobicContact CD2-CZ3 4.04Å |
| 62 | P | 85.6 | Confident | 87.2 | Confident | 66 Ų | 66 | 70 Ų | 70 | 43% | 0.429 | 36% | 0.357 | S | S | . | . | trans | -57.7 | 141.8 | 172.3 | -21.8 | 32.6 | 0 | 0 | 0 | 112.3 | A64 E65 | P62-A64 PolarHBondContact O-N 3.41Å; P62-A64 VanDerWaalsContact O-N 3.13Å; P62-E65 HydrophobicContact CB-CG 4.33Å; P62-E65 HydrophobicContact CG-CG 4.35Å; P62-E65 WeakPolarHBondContact O-CB 3.48Å; P62-E65 PolarHBondContact O-N 3.42Å | ||
| 63 | E | 78.1 | Confident | 87.4 | Confident | 147 Ų | 147 | 65.4 Ų | 65.4 | 69% | 0.687 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -18.8 | 179.4 | 173.8 | 150.3 | -132.3 | 0 | 0 | 113.7 | R55 E65 | R55-E63 IonicContact CZ-OE1 3.7Å; R55-E63 VanDerWaalsContact CZ-OE1 3.27Å; R55-E63 VanDerWaalsContact NH1-CD 3.3Å; R55-E63 IonicContact NH1-OE1 2.68Å; R55-E63 PolarHBondContact NH1-OE1 3.06Å; R55-E63 IonicContact NH2-OE1 3.18Å; R55-E63 PolarHBondContact NH2-OE1 3.29Å; E63-E65 VanDerWaalsContact C-N 3.26Å; E63-E65 PolarHBondContact O-N 2.82Å |
| 64 | A | 82.6 | Confident | 87.7 | Confident | 85 Ų | 85 | 62.6 Ų | 62.6 | 70% | 0.702 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -23.3 | 171 | 0 | 0 | 0 | 0 | 0 | 113.5 | P62 R66 | P62-A64 PolarHBondContact O-N 3.41Å; P62-A64 VanDerWaalsContact O-N 3.13Å; A64-R66 PolarHBondContact O-N 3.42Å |
| 65 | E | 85.8 | Confident | 87.8 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 7% | 0.065 | 32% | 0.321 | C | S | . | . | trans | -71.2 | 126.5 | -177.1 | -67.9 | -57.5 | 137.1 | 0 | 0 | 112 | P62 E63 S88 E89 N90 W91 | P62-E65 HydrophobicContact CB-CG 4.33Å; P62-E65 HydrophobicContact CG-CG 4.35Å; P62-E65 WeakPolarHBondContact O-CB 3.48Å; P62-E65 PolarHBondContact O-N 3.42Å; E63-E65 VanDerWaalsContact C-N 3.26Å; E63-E65 PolarHBondContact O-N 2.82Å; E65-S88 WeakPolarHBondContact OE2-CB 3.38Å; E65-S88 PolarHBondContact OE2-OG 2.9Å; E65-E89 PolarHBondContact OE2-N 3.25Å; E65-N90 WeakPolarHBondContact OE1-CB 3.44Å; E65-N90 PolarHBondContact OE1-ND2 2.61Å; E65-N90 PolarHBondContact OE2-N 3.11Å; E65-W91 VanDerWaalsContact CD-CD1 3.4Å | ||
| 66 | R | 86.3 | Confident | 87.9 | Confident | 130 Ų | 130 | 60.8 Ų | 60.8 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | trans | -118.5 | 133.3 | -175.2 | -175 | -177.7 | -179.2 | 93 | -6.2 | 110.6 | Y47 A64 I68 S88 | Y47-R66 WeakPolarHBondContact OH-CG 3.43Å; Y47-R66 PolarHBondContact OH-NE 3.43Å; A64-R66 PolarHBondContact O-N 3.42Å; R66-I68 PolarHBondContact O-N 3.48Å; R66-I68 VanDerWaalsContact O-N 3.16Å; R66-S88 VanDerWaalsContact C-OG 3.26Å; R66-S88 PolarHBondContact N-OG 3.12Å; R66-S88 VanDerWaalsContact O-CA 3.32Å; R66-S88 WeakPolarHBondContact O-CA 3.36Å; R66-S88 WeakPolarHBondContact O-CB 3.41Å; R66-S88 PolarHBondContact O-OG 2.79Å | ||
| 67 | L | 90.6 | Very high | 87.8 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | trans | -65.9 | 114.6 | 175.6 | 178.5 | 63.3 | 0 | 0 | 0 | 110 | Y47 R50 N51 F54 V69 Y86 | Y47-L67 WeakPolarHBondContact CE2-O 3.39Å; Y47-L67 PolarHBondContact OH-O 2.67Å; R50-L67 HydrophobicContact CB-CD2 3.91Å; R50-L67 WeakPolarHBondContact O-CD2 3.44Å; N51-L67 HydrophobicContact CB-CB 4.22Å; N51-L67 WeakPolarHBondContact OD1-CB 3.4Å; N51-L67 PolarHBondContact OD1-N 3.16Å; F54-L67 HydrophobicContact CB-CB 4.29Å; F54-L67 HydrophobicContact CB-CD2 4.14Å; F54-L67 HydrophobicContact CD1-CB 3.96Å; F54-L67 HydrophobicContact CD2-CD1 4.3Å; F54-L67 HydrophobicContact CG-CB 4.14Å; F54-L67 HydrophobicContact CG-CD1 4.33Å; L67-V69 WeakPolarHBondContact CD1-O 3.47Å; L67-Y86 HydrophobicContact CD1-CD1 3.73Å; L67-Y86 HydrophobicContact CD1-CG 4.27Å; L67-Y86 HydrophobicContact CD2-CD1 4.18Å | ||
| 68 | I | 91.5 | Very high | 87.7 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 30% | 0.297 | 34% | 0.34 | S | S | . | . | trans | -78.4 | -52.3 | 173.4 | -60.1 | -179.6 | 0 | 0 | 0 | 109.3 | R66 L87 S88 E89 L151 L155 | R66-I68 PolarHBondContact O-N 3.48Å; R66-I68 VanDerWaalsContact O-N 3.16Å; I68-L87 WeakPolarHBondContact CB-O 3.28Å; I68-L87 PolarHBondContact N-O 2.77Å; I68-S88 WeakPolarHBondContact CD1-O 3.42Å; I68-E89 HydrophobicContact CD1-CG 3.89Å; I68-E89 HydrophobicContact CG1-CG 4.24Å; I68-L151 HydrophobicContact CG2-CD2 4.43Å; I68-L155 HydrophobicContact CD1-CD1 3.94Å; I68-L155 HydrophobicContact CD1-CD2 3.4Å; I68-L155 VanDerWaalsContact CD1-CD2 3.4Å; I68-L155 HydrophobicContact CD1-CG 4.33Å | ||
| 69 | V | 91.5 | Very high | 87.7 | Confident | 35 Ų | 35 | 70.6 Ų | 70.6 | 21% | 0.212 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 156.8 | 178.7 | 71.3 | 0 | 0 | 0 | 0 | 110.8 | L67 Y71 L87 L151 | L67-V69 WeakPolarHBondContact CD1-O 3.47Å; V69-Y71 HydrophobicContact CG1-CD2 4.1Å; V69-Y71 HydrophobicContact CG1-CE2 3.43Å; V69-Y71 VanDerWaalsContact CG1-CE2 3.43Å; V69-Y71 HydrophobicContact CG2-CE2 4.47Å; V69-L87 HydrophobicContact CG1-CB 4.32Å; V69-L87 HydrophobicContact CG1-CD1 4.05Å; V69-L87 HydrophobicContact CG1-CG 4.39Å; V69-L87 PolarHBondContact N-O 3.45Å; V69-L87 PolarHBondContact O-N 3.09Å; V69-L151 HydrophobicContact CB-CD2 4.46Å; V69-L151 HydrophobicContact CG1-CD2 3.38Å |
| 70 | D | 92.1 | Very high | 88 | Confident | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 145.9 | 168.9 | 68.2 | -64.1 | 0 | 0 | 0 | 112.1 | R50 R84 L85 Y86 | R50-D70 WeakPolarHBondContact CD-OD1 3.49Å; R50-D70 IonicContact CZ-OD1 3.43Å; R50-D70 IonicContact NE-OD1 2.68Å; R50-D70 IonicContact NH1-OD1 3.27Å; R50-D70 PolarHBondContact NH1-OD1 2.86Å; D70-R84 IonicContact OD2-CZ 2.71Å; D70-R84 IonicContact OD2-NE 3.96Å; D70-R84 PolarHBondContact OD2-NE 3.23Å; D70-R84 IonicContact OD2-NH2 2.86Å; D70-R84 PolarHBondContact OD2-NH2 3.36Å; D70-L85 CarbonylContact C-O 3.48Å; D70-L85 WeakPolarHBondContact CA-O 3.42Å; D70-Y86 HydrophobicContact CB-CD1 3.77Å; D70-Y86 HydrophobicContact CB-CE1 4.02Å; D70-Y86 HydrophobicContact CB-CG 4.31Å |
| 71 | Y | 92.6 | Very high | 88.5 | Confident | 45 Ų | 45 | 61 Ų | 61 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 130.1 | 179.4 | -66 | -72.6 | 0 | 0 | 0 | 110.5 | V69 C73 R84 L85 L87 C148 L151 | V69-Y71 HydrophobicContact CG1-CD2 4.1Å; V69-Y71 HydrophobicContact CG1-CE2 3.43Å; V69-Y71 VanDerWaalsContact CG1-CE2 3.43Å; V69-Y71 HydrophobicContact CG2-CE2 4.47Å; Y71-C73 PolarHBondContact O-N 2.88Å; Y71-R84 CarbonylContact O-C 3.5Å; Y71-R84 WeakPolarHBondContact O-CA 3.42Å; Y71-L85 PolarHBondContact N-O 2.94Å; Y71-L85 PolarHBondContact O-N 2.92Å; Y71-L87 HydrophobicContact CD2-CD1 4.21Å; Y71-L87 HydrophobicContact CE2-CD1 3.82Å; Y71-C148 HydrophobicContact CD1-CB 4.41Å; Y71-C148 HydrophobicContact CD2-CB 4Å; Y71-C148 WeakPolarHBondContact CD2-SG 3.14Å; Y71-C148 HydrophobicContact CE1-CB 4.28Å; Y71-C148 HydrophobicContact CE2-CB 3.82Å; Y71-C148 HydrophobicContact CG-CB 4.28Å; Y71-L151 HydrophobicContact CE2-CD2 4.43Å |
| 72 | S | 92.4 | Very high | 88.8 | Confident | 69 Ų | 69 | 66.5 Ų | 66.5 | 48% | 0.483 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 130.6 | 166 | -53.4 | 0 | 0 | 0 | 0 | 110.2 | R84 | S72-R84 PolarHBondContact OG-NH1 2.82Å |
| 73 | C | 92.6 | Very high | 89.2 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.034 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 175.4 | 177.3 | 66.4 | 0 | 0 | 0 | 0 | 110.3 | Y71 G83 T140 F142 | Y71-C73 PolarHBondContact O-N 2.88Å; C73-G83 PolarHBondContact N-O 2.87Å; C73-G83 CarbonylContact O-C 3.47Å; C73-G83 PolarHBondContact O-N 2.87Å; C73-T140 WeakPolarHBondContact CA-O 3.47Å; C73-T140 VanDerWaalsContact CB-O 3.32Å; C73-T140 WeakPolarHBondContact CB-O 3.4Å; C73-F142 HydrophobicContact CB-CD1 3.77Å; C73-F142 HydrophobicContact CB-CE1 3.58Å; C73-F142 HydrophobicContact CB-CE2 4.47Å; C73-F142 HydrophobicContact CB-CG 4.3Å; C73-F142 HydrophobicContact CB-CZ 3.98Å |
| 74 | A | 92.2 | Very high | 90 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L80 L81 F139 T140 | A74-L80 HydrophobicContact CB-CB 4.49Å; A74-L80 HydrophobicContact CB-CD2 4.11Å; A74-L81 CarbonylContact C-O 3.44Å; A74-L81 VanDerWaalsContact CA-O 3.24Å; A74-L81 WeakPolarHBondContact CA-O 3.2Å; A74-F139 CarbonylContact O-C 3.6Å; A74-F139 WeakPolarHBondContact O-CA 3.24Å; A74-T140 PolarHBondContact N-O 3.25Å; A74-T140 PolarHBondContact O-N 2.9Å; A74-T140 PolarHBondContact O-OG1 2.87Å; A74-T140 VanDerWaalsContact O-OG1 3.07Å |
| 75 | L | 92 | Very high | 90.6 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.3 | 171.2 | 174.2 | 66.9 | 0 | 0 | 0 | 109 | R77 L81 F94 I105 H137 F139 | L75-R77 HydrophobicContact CD2-CG 4.12Å; L75-R77 HydrophobicContact CG-CG 4.2Å; L75-R77 PolarHBondContact O-N 3.06Å; L75-L81 HydrophobicContact CB-CB 4.36Å; L75-L81 PolarHBondContact N-O 2.81Å; L75-L81 PolarHBondContact O-N 2.85Å; L75-F94 HydrophobicContact CB-CD1 4.24Å; L75-F94 HydrophobicContact CB-CE1 3.62Å; L75-F94 HydrophobicContact CB-CE2 4.36Å; L75-F94 HydrophobicContact CB-CZ 3.7Å; L75-F94 HydrophobicContact CD2-CD1 4.15Å; L75-F94 HydrophobicContact CD2-CE1 4.06Å; L75-I105 HydrophobicContact CD2-CD1 3.42Å; L75-I105 VanDerWaalsContact CD2-CD1 3.42Å; L75-H137 HydrophobicContact CD1-CB 4.12Å; L75-F139 HydrophobicContact CB-CD1 4.18Å; L75-F139 HydrophobicContact CB-CE1 4.2Å; L75-F139 HydrophobicContact CD1-CD1 3.98Å; L75-F139 HydrophobicContact CD1-CE1 3.8Å; L75-F139 HydrophobicContact CD1-CG 4.48Å; L75-F139 HydrophobicContact CD1-CZ 4.15Å; L75-F139 HydrophobicContact CG-CE1 4.44Å |
| 76 | Q | 89.6 | Confident | 91 | Very high | 73 Ų | 73 | 58 Ų | 58 | 34% | 0.341 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 105.1 | 170.2 | -177.3 | 72.7 | 72.2 | 0 | 0 | 109.1 | L80 F138 T140 | Q76-L80 HydrophobicContact CB-CD2 4.13Å; Q76-L80 VanDerWaalsContact OE1-CD2 3.31Å; Q76-F138 HydrophobicContact CB-CB 4.02Å; Q76-F138 WeakPolarHBondContact CB-O 3.39Å; Q76-F138 PolarHBondContact N-O 3.1Å; Q76-T140 HydrophobicContact CB-CG2 4.16Å |
| 77 | R | 85.9 | Confident | 91.3 | Very high | 103 Ų | 103 | 51.9 Ų | 51.9 | 39% | 0.389 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -109.7 | -137 | 155.4 | -68.3 | -170.1 | 179.7 | -86.1 | 4.6 | 107.1 | L75 I79 E135 | L75-R77 HydrophobicContact CD2-CG 4.12Å; L75-R77 HydrophobicContact CG-CG 4.2Å; L75-R77 PolarHBondContact O-N 3.06Å; R77-I79 PolarHBondContact N-O 2.92Å; R77-I79 VanDerWaalsContact N-O 3.09Å; R77-I79 PolarHBondContact O-N 2.69Å; R77-E135 IonicContact CZ-OE1 2.69Å; R77-E135 IonicContact CZ-OE2 3.58Å; R77-E135 IonicContact NH1-OE1 2.7Å; R77-E135 IonicContact NH1-OE2 3.27Å; R77-E135 PolarHBondContact NH1-OE2 3.16Å; R77-E135 IonicContact NH2-OE1 2.92Å; R77-E135 PolarHBondContact NH2-OE1 3.34Å; R77-E135 IonicContact NH2-OE2 3.65Å; R77-E135 PolarHBondContact NH2-OE2 3.45Å |
| 78 | E | 85.4 | Confident | 91.4 | Very high | 196 Ų | 196 | 51.9 Ų | 51.9 | 92% | 0.916 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -56.5 | -36.7 | 171.7 | -62.7 | 173.5 | -178.9 | 0 | 0 | 112.2 | ||
| 79 | I | 86.5 | Confident | 91.4 | Very high | 101 Ų | 101 | 53.7 Ų | 53.7 | 52% | 0.518 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -121.9 | 165.6 | 171 | 62 | 172.2 | 0 | 0 | 0 | 110.7 | R77 L81 | R77-I79 PolarHBondContact N-O 2.92Å; R77-I79 VanDerWaalsContact N-O 3.09Å; R77-I79 PolarHBondContact O-N 2.69Å; I79-L81 HydrophobicContact CD1-CD2 3.81Å; I79-L81 HydrophobicContact CG1-CD2 3.83Å; I79-L81 HydrophobicContact CG1-CG 4.28Å; I79-L81 PolarHBondContact O-N 3.35Å |
| 80 | L | 87.7 | Confident | 91.4 | Very high | 83 Ų | 83 | 54.9 Ų | 54.9 | 44% | 0.435 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 102 | 170.4 | -78.1 | 168.8 | 0 | 0 | 0 | 110.1 | A74 Q76 Q82 T140 | A74-L80 HydrophobicContact CB-CB 4.49Å; A74-L80 HydrophobicContact CB-CD2 4.11Å; Q76-L80 HydrophobicContact CB-CD2 4.13Å; Q76-L80 VanDerWaalsContact OE1-CD2 3.31Å; L80-Q82 PolarHBondContact O-N 2.93Å; L80-T140 WeakPolarHBondContact CD2-OG1 3.5Å |
| 81 | L | 92.4 | Very high | 91.5 | Very high | 22 Ų | 22 | 56.5 Ų | 56.5 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 98.8 | 175.4 | -63.6 | 175.8 | 0 | 0 | 0 | 109.3 | A74 L75 I79 F94 T103 | A74-L81 CarbonylContact C-O 3.44Å; A74-L81 VanDerWaalsContact CA-O 3.24Å; A74-L81 WeakPolarHBondContact CA-O 3.2Å; L75-L81 HydrophobicContact CB-CB 4.36Å; L75-L81 PolarHBondContact N-O 2.81Å; L75-L81 PolarHBondContact O-N 2.85Å; I79-L81 HydrophobicContact CD1-CD2 3.81Å; I79-L81 HydrophobicContact CG1-CD2 3.83Å; I79-L81 HydrophobicContact CG1-CG 4.28Å; I79-L81 PolarHBondContact O-N 3.35Å; L81-F94 WeakPolarHBondContact O-CZ 3.32Å; L81-T103 HydrophobicContact CD1-CG2 4.2Å |
| 82 | Q | 92.3 | Very high | 91.6 | Very high | 142 Ų | 142 | 54.4 Ų | 54.4 | 66% | 0.664 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 128.8 | 177.5 | 178 | 179.6 | -56.4 | 0 | 0 | 111 | L80 S96 I98 | L80-Q82 PolarHBondContact O-N 2.93Å; Q82-S96 PolarHBondContact O-OG 2.98Å; Q82-I98 HydrophobicContact CB-CD1 4.05Å |
| 83 | G | 93.9 | Very high | 91.7 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | -153.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C73 Y95 | C73-G83 PolarHBondContact N-O 2.87Å; C73-G83 CarbonylContact O-C 3.47Å; C73-G83 PolarHBondContact O-N 2.87Å; G83-Y95 CarbonylContact C-O 3.49Å; G83-Y95 WeakPolarHBondContact CA-O 3.43Å |
| 84 | R | 93.9 | Very high | 91.8 | Very high | 99 Ų | 99 | 51 Ų | 51 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 134.8 | 175.3 | -56.5 | -176.4 | 87.6 | 85.2 | -1.7 | 110.3 | D70 Y71 S72 Y86 F94 Y95 | D70-R84 IonicContact OD2-CZ 2.71Å; D70-R84 IonicContact OD2-NE 3.96Å; D70-R84 PolarHBondContact OD2-NE 3.23Å; D70-R84 IonicContact OD2-NH2 2.86Å; D70-R84 PolarHBondContact OD2-NH2 3.36Å; Y71-R84 CarbonylContact O-C 3.5Å; Y71-R84 WeakPolarHBondContact O-CA 3.42Å; S72-R84 PolarHBondContact OG-NH1 2.82Å; R84-Y86 HydrophobicContact CB-CD2 4.28Å; R84-Y86 HydrophobicContact CB-CE2 3.61Å; R84-Y86 WeakPolarHBondContact O-CD2 3.29Å; R84-F94 WeakPolarHBondContact O-CA 3.47Å; R84-F94 WeakPolarHBondContact O-CD2 3.43Å; R84-Y95 PolarHBondContact N-O 3.09Å; R84-Y95 PolarHBondContact O-N 3.4Å |
| 85 | L | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 127.5 | 166.8 | -164.5 | 73.5 | 0 | 0 | 0 | 108.4 | D70 Y71 L87 I92 C93 F94 F139 F142 I152 | D70-L85 CarbonylContact C-O 3.48Å; D70-L85 WeakPolarHBondContact CA-O 3.42Å; Y71-L85 PolarHBondContact N-O 2.94Å; Y71-L85 PolarHBondContact O-N 2.92Å; L85-L87 HydrophobicContact CD2-CD2 3.99Å; L85-L87 HydrophobicContact CG-CD2 4.11Å; L85-I92 HydrophobicContact CD1-CG2 3.66Å; L85-I92 HydrophobicContact CD2-CG2 4.37Å; L85-I92 HydrophobicContact CG-CG2 4.17Å; L85-C93 CarbonylContact C-O 3.6Å; L85-C93 WeakPolarHBondContact CA-O 3.32Å; L85-F94 HydrophobicContact CD1-CB 4.03Å; L85-F94 HydrophobicContact CD1-CD2 4.4Å; L85-F139 HydrophobicContact CD1-CD1 4.22Å; L85-F139 HydrophobicContact CD1-CE1 3.85Å; L85-F139 HydrophobicContact CD1-CE2 4.39Å; L85-F139 HydrophobicContact CD1-CZ 3.94Å; L85-F142 HydrophobicContact CD2-CE1 4.06Å; L85-F142 HydrophobicContact CD2-CZ 4.16Å; L85-I152 HydrophobicContact CD2-CD1 3.88Å |
| 86 | Y | 94.6 | Very high | 92.1 | Very high | 21 Ų | 21 | 52.4 Ų | 52.4 | 8% | 0.082 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.1 | 175.9 | -62.1 | -99.8 | 0 | 0 | 0 | 107.8 | F54 L57 F58 L67 D70 R84 C93 | F54-Y86 HydrophobicContact CB-CD1 4.16Å; F54-Y86 HydrophobicContact CB-CE1 4.41Å; F54-Y86 AromaticContact CD2-CD1 3.7Å; F54-Y86 HydrophobicContact CD2-CD1 3.7Å; F54-Y86 AromaticContact CD2-CG 3.76Å; F54-Y86 HydrophobicContact CD2-CG 3.76Å; F54-Y86 HydrophobicContact CE2-CG 4.29Å; F54-Y86 HydrophobicContact CG-CD1 4.33Å; L57-Y86 HydrophobicContact CD1-CE2 4.31Å; L57-Y86 WeakPolarHBondContact CD1-OH 3.43Å; F58-Y86 AromaticContact CE2-CD2 3.77Å; F58-Y86 HydrophobicContact CE2-CD2 3.77Å; F58-Y86 HydrophobicContact CE2-CE2 4.11Å; F58-Y86 HydrophobicContact CE2-CG 4.24Å; F58-Y86 HydrophobicContact CZ-CD2 4.29Å; L67-Y86 HydrophobicContact CD1-CD1 3.73Å; L67-Y86 HydrophobicContact CD1-CG 4.27Å; L67-Y86 HydrophobicContact CD2-CD1 4.18Å; D70-Y86 HydrophobicContact CB-CD1 3.77Å; D70-Y86 HydrophobicContact CB-CE1 4.02Å; D70-Y86 HydrophobicContact CB-CG 4.31Å; R84-Y86 HydrophobicContact CB-CD2 4.28Å; R84-Y86 HydrophobicContact CB-CE2 3.61Å; R84-Y86 WeakPolarHBondContact O-CD2 3.29Å; Y86-C93 PolarHBondContact N-O 3.33Å; Y86-C93 PolarHBondContact O-N 3.45Å |
| 87 | L | 93.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.7 | 177.6 | -55.7 | -177 | 0 | 0 | 0 | 109.2 | I68 V69 Y71 L85 I92 L151 I152 L155 | I68-L87 WeakPolarHBondContact CB-O 3.28Å; I68-L87 PolarHBondContact N-O 2.77Å; V69-L87 HydrophobicContact CG1-CB 4.32Å; V69-L87 HydrophobicContact CG1-CD1 4.05Å; V69-L87 HydrophobicContact CG1-CG 4.39Å; V69-L87 PolarHBondContact N-O 3.45Å; V69-L87 PolarHBondContact O-N 3.09Å; Y71-L87 HydrophobicContact CD2-CD1 4.21Å; Y71-L87 HydrophobicContact CE2-CD1 3.82Å; L85-L87 HydrophobicContact CD2-CD2 3.99Å; L85-L87 HydrophobicContact CG-CD2 4.11Å; L87-I92 HydrophobicContact CD2-CB 4.39Å; L87-I92 HydrophobicContact CD2-CG1 4.22Å; L87-I92 HydrophobicContact CD2-CG2 3.92Å; L87-L151 HydrophobicContact CD1-CD2 4.01Å; L87-L151 HydrophobicContact CD1-CG 4.12Å; L87-I152 HydrophobicContact CD1-CD1 4.39Å; L87-I152 HydrophobicContact CD1-CG1 3.55Å; L87-I152 HydrophobicContact CD2-CD1 4.21Å; L87-I152 HydrophobicContact CD2-CG1 3.73Å; L87-I152 HydrophobicContact CG-CG1 4.32Å; L87-L155 HydrophobicContact CB-CD1 4.13Å; L87-L155 HydrophobicContact CD1-CD1 4.39Å |
| 88 | S | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -111.1 | -171 | 172.4 | -156.5 | 0 | 0 | 0 | 0 | 110.9 | E65 R66 I68 W91 | E65-S88 WeakPolarHBondContact OE2-CB 3.38Å; E65-S88 PolarHBondContact OE2-OG 2.9Å; R66-S88 VanDerWaalsContact C-OG 3.26Å; R66-S88 PolarHBondContact N-OG 3.12Å; R66-S88 VanDerWaalsContact O-CA 3.32Å; R66-S88 WeakPolarHBondContact O-CA 3.36Å; R66-S88 WeakPolarHBondContact O-CB 3.41Å; R66-S88 PolarHBondContact O-OG 2.79Å; I68-S88 WeakPolarHBondContact CD1-O 3.42Å; S88-W91 PolarHBondContact N-O 2.9Å | ||
| 89 | E | 90.4 | Very high | 92.2 | Very high | 96 Ų | 96 | 49.3 Ų | 49.3 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -73.7 | -39.5 | -177.8 | -70.9 | 176.9 | -159.2 | 0 | 0 | 111.3 | E65 I68 L109 | E65-E89 PolarHBondContact OE2-N 3.25Å; I68-E89 HydrophobicContact CD1-CG 3.89Å; I68-E89 HydrophobicContact CG1-CG 4.24Å; E89-L109 WeakPolarHBondContact O-CD1 3.46Å |
| 90 | N | 92.1 | Very high | 92.1 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 33% | 0.326 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -114.9 | -4.9 | 177.7 | -57.5 | -76.5 | 0 | 0 | 0 | 114.4 | E65 L109 | E65-N90 WeakPolarHBondContact OE1-CB 3.44Å; E65-N90 PolarHBondContact OE1-ND2 2.61Å; E65-N90 PolarHBondContact OE2-N 3.11Å; N90-L109 WeakPolarHBondContact O-CB 3.4Å; N90-L109 PolarHBondContact O-N 2.97Å |
| 91 | W | 94.1 | Very high | 92 | Very high | 46 Ų | 46 | 61.6 Ų | 61.6 | 17% | 0.174 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 146.6 | -171.4 | -63.5 | 76.8 | 0 | 0 | 0 | 114.9 | L61 E65 S88 I107 Q108 | L61-W91 HydrophobicContact CD2-CD2 3.49Å; L61-W91 VanDerWaalsContact CD2-CD2 3.49Å; L61-W91 HydrophobicContact CD2-CE3 3.71Å; L61-W91 HydrophobicContact CD2-CG 3.92Å; L61-W91 HydrophobicContact CD2-CH2 4.15Å; L61-W91 HydrophobicContact CD2-CZ2 3.98Å; L61-W91 HydrophobicContact CD2-CZ3 4.04Å; E65-W91 VanDerWaalsContact CD-CD1 3.4Å; S88-W91 PolarHBondContact N-O 2.9Å; W91-I107 CarbonylContact C-O 3.52Å; W91-I107 WeakPolarHBondContact CA-O 3.48Å; W91-Q108 HydrophobicContact CD2-CG 3.91Å; W91-Q108 HydrophobicContact CE3-CG 3.74Å; W91-Q108 HydrophobicContact CH2-CG 3.5Å; W91-Q108 HydrophobicContact CZ2-CG 3.65Å; W91-Q108 HydrophobicContact CZ3-CG 3.53Å |
| 92 | I | 94.8 | Very high | 92 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 115.1 | 165.3 | -54 | 179.9 | 0 | 0 | 0 | 107.5 | L85 L87 I107 L109 V112 I130 I152 | L85-I92 HydrophobicContact CD1-CG2 3.66Å; L85-I92 HydrophobicContact CD2-CG2 4.37Å; L85-I92 HydrophobicContact CG-CG2 4.17Å; L87-I92 HydrophobicContact CD2-CB 4.39Å; L87-I92 HydrophobicContact CD2-CG1 4.22Å; L87-I92 HydrophobicContact CD2-CG2 3.92Å; I92-I107 HydrophobicContact CB-CB 4.3Å; I92-I107 PolarHBondContact N-O 3.38Å; I92-I107 PolarHBondContact O-N 2.91Å; I92-L109 HydrophobicContact CD1-CD2 3.61Å; I92-L109 HydrophobicContact CG1-CD2 3.55Å; I92-L109 HydrophobicContact CG1-CG 4.12Å; I92-V112 HydrophobicContact CD1-CG2 4.36Å; I92-I130 HydrophobicContact CD1-CD1 3.74Å; I92-I130 HydrophobicContact CG2-CD1 4.13Å; I92-I152 HydrophobicContact CD1-CG2 3.55Å |
| 93 | C | 94.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 140.6 | -176.7 | -71.4 | 0 | 0 | 0 | 0 | 110.9 | F54 F58 L85 Y86 I105 S106 | F54-C93 HydrophobicContact CE2-CB 4.06Å; F58-C93 HydrophobicContact CD1-CB 3.98Å; F58-C93 HydrophobicContact CD2-CB 4.27Å; F58-C93 HydrophobicContact CE1-CB 3.66Å; F58-C93 HydrophobicContact CE2-CB 3.98Å; F58-C93 HydrophobicContact CG-CB 4.27Å; F58-C93 HydrophobicContact CZ-CB 3.66Å; L85-C93 CarbonylContact C-O 3.6Å; L85-C93 WeakPolarHBondContact CA-O 3.32Å; Y86-C93 PolarHBondContact N-O 3.33Å; Y86-C93 PolarHBondContact O-N 3.45Å; C93-I105 CarbonylContact C-O 3.58Å; C93-I105 VanDerWaalsContact CA-O 3.27Å; C93-I105 WeakPolarHBondContact CA-O 3.37Å; C93-S106 PolarHBondContact SG-OG 2.75Å; C93-S106 VanDerWaalsContact SG-OG 3.35Å |
| 94 | F | 95.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 134.5 | 176.7 | 175.9 | -101.2 | 0 | 0 | 0 | 110.5 | L75 L81 R84 L85 T104 I105 F139 | L75-F94 HydrophobicContact CB-CD1 4.24Å; L75-F94 HydrophobicContact CB-CE1 3.62Å; L75-F94 HydrophobicContact CB-CE2 4.36Å; L75-F94 HydrophobicContact CB-CZ 3.7Å; L75-F94 HydrophobicContact CD2-CD1 4.15Å; L75-F94 HydrophobicContact CD2-CE1 4.06Å; L81-F94 WeakPolarHBondContact O-CZ 3.32Å; R84-F94 WeakPolarHBondContact O-CA 3.47Å; R84-F94 WeakPolarHBondContact O-CD2 3.43Å; L85-F94 HydrophobicContact CD1-CB 4.03Å; L85-F94 HydrophobicContact CD1-CD2 4.4Å; F94-T104 WeakPolarHBondContact O-CA 3.36Å; F94-I105 HydrophobicContact CB-CB 4.33Å; F94-I105 PolarHBondContact N-O 3.07Å; F94-I105 PolarHBondContact O-N 3.22Å; F94-F139 HydrophobicContact CB-CE1 3.82Å; F94-F139 HydrophobicContact CB-CZ 4.27Å; F94-F139 HydrophobicContact CD1-CE1 4.32Å; F94-F139 HydrophobicContact CD2-CD1 4.14Å; F94-F139 AromaticContact CD2-CE1 3.74Å; F94-F139 HydrophobicContact CD2-CE1 3.74Å; F94-F139 HydrophobicContact CE2-CD1 4.5Å; F94-F139 HydrophobicContact CE2-CE1 4.42Å; F94-F139 AromaticContact CG-CE1 3.69Å; F94-F139 HydrophobicContact CG-CE1 3.69Å |
| 95 | Y | 94.8 | Very high | 91.8 | Very high | 37 Ų | 37 | 59.8 Ų | 59.8 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.6 | 174.2 | -178.3 | -89.1 | 0 | 0 | 0 | 110 | L57 G83 R84 N97 E102 T104 | L57-Y95 HydrophobicContact CB-CD2 4.4Å; L57-Y95 HydrophobicContact CD1-CD1 4.36Å; L57-Y95 HydrophobicContact CD1-CD2 4.09Å; L57-Y95 HydrophobicContact CD1-CG 4.01Å; L57-Y95 HydrophobicContact CD2-CD2 3.89Å; L57-Y95 HydrophobicContact CD2-CE2 3.59Å; L57-Y95 HydrophobicContact CD2-CG 4.5Å; L57-Y95 HydrophobicContact CG-CD2 4.35Å; G83-Y95 CarbonylContact C-O 3.49Å; G83-Y95 WeakPolarHBondContact CA-O 3.43Å; R84-Y95 PolarHBondContact N-O 3.09Å; R84-Y95 PolarHBondContact O-N 3.4Å; Y95-N97 HydrophobicContact CE1-CB 3.68Å; Y95-N97 PolarHBondContact OH-ND2 3.47Å; Y95-N97 VanDerWaalsContact OH-ND2 3.12Å; Y95-E102 HydrophobicContact CD2-CG 4.39Å; Y95-E102 HydrophobicContact CE2-CG 3.56Å; Y95-E102 VanDerWaalsContact CE2-OE2 3.29Å; Y95-E102 WeakPolarHBondContact CE2-OE2 3.5Å; Y95-E102 PolarHBondContact OH-OE2 3Å; Y95-T104 HydrophobicContact CD2-CG2 3.69Å; Y95-T104 HydrophobicContact CE2-CG2 4.3Å |
| 96 | S | 93.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 139.6 | 170.1 | 161.7 | 0 | 0 | 0 | 0 | 109.3 | Q82 E102 T103 | Q82-S96 PolarHBondContact O-OG 2.98Å; S96-E102 CarbonylContact O-C 3.49Å; S96-E102 WeakPolarHBondContact O-CA 3.45Å; S96-T103 PolarHBondContact N-O 3.47Å; S96-T103 PolarHBondContact O-N 3.47Å |
| 97 | N | 91.2 | Very high | 91.7 | Very high | 78 Ų | 78 | 61.4 Ų | 61.4 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 101.8 | 171.3 | -172.6 | -27.5 | 0 | 0 | 0 | 108.4 | Y95 W101 | Y95-N97 HydrophobicContact CE1-CB 3.68Å; Y95-N97 PolarHBondContact OH-ND2 3.47Å; Y95-N97 VanDerWaalsContact OH-ND2 3.12Å; N97-W101 WeakPolarHBondContact CA-O 3.42Å |
| 98 | I | 88.1 | Confident | 91.7 | Very high | 46 Ų | 46 | 65.2 Ų | 65.2 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 127.6 | -171.4 | -63.8 | -65.7 | 0 | 0 | 0 | 108 | Q82 R100 W101 | Q82-I98 HydrophobicContact CB-CD1 4.05Å; I98-R100 PolarHBondContact O-N 3.18Å; I98-R100 VanDerWaalsContact O-N 3.15Å; I98-W101 PolarHBondContact N-O 2.73Å; I98-W101 VanDerWaalsContact N-O 3.17Å; I98-W101 WeakPolarHBondContact O-CB 3.27Å; I98-W101 PolarHBondContact O-N 2.79Å |
| 99 | F | 83.7 | Confident | 91.7 | Very high | 183 Ų | 183 | 65.2 Ų | 65.2 | 80% | 0.803 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 33 | -171.8 | -55.1 | -64.6 | 0 | 0 | 0 | 114.6 | W101 | F99-W101 PolarHBondContact O-N 2.88Š|
| 100 | R | 84.4 | Confident | 91.8 | Very high | 238 Ų | 238 | 66.4 Ų | 66.4 | 90% | 0.898 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 4.4 | -172.3 | -51.7 | -178.4 | 178.3 | 179.8 | -0.2 | 116 | I98 E102 | I98-R100 PolarHBondContact O-N 3.18Å; I98-R100 VanDerWaalsContact O-N 3.15Å; R100-E102 PolarHBondContact O-N 2.88Å |
| 101 | W | 87.6 | Confident | 91.9 | Very high | 203 Ų | 203 | 67 Ų | 67 | 77% | 0.769 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 110.4 | 169.6 | -58 | 88.1 | 0 | 0 | 0 | 108.9 | N97 I98 F99 | N97-W101 WeakPolarHBondContact CA-O 3.42Å; I98-W101 PolarHBondContact N-O 2.73Å; I98-W101 VanDerWaalsContact N-O 3.17Å; I98-W101 WeakPolarHBondContact O-CB 3.27Å; I98-W101 PolarHBondContact O-N 2.79Å; F99-W101 PolarHBondContact O-N 2.88Å |
| 102 | E | 90.4 | Very high | 91.9 | Very high | 112 Ų | 112 | 65 Ų | 65 | 52% | 0.523 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 129.6 | 173 | -173.3 | 164.5 | 117.2 | 0 | 0 | 110.1 | Y95 S96 R100 | Y95-E102 HydrophobicContact CD2-CG 4.39Å; Y95-E102 HydrophobicContact CE2-CG 3.56Å; Y95-E102 VanDerWaalsContact CE2-OE2 3.29Å; Y95-E102 WeakPolarHBondContact CE2-OE2 3.5Å; Y95-E102 PolarHBondContact OH-OE2 3Å; S96-E102 CarbonylContact O-C 3.49Å; S96-E102 WeakPolarHBondContact O-CA 3.45Å; R100-E102 PolarHBondContact O-N 2.88Å |
| 103 | T | 91 | Very high | 91.9 | Very high | 37 Ų | 37 | 68.4 Ų | 68.4 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 112.1 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 108.4 | L81 S96 | L81-T103 HydrophobicContact CD1-CG2 4.2Å; S96-T103 PolarHBondContact N-O 3.47Å; S96-T103 PolarHBondContact O-N 3.47Å |
| 104 | T | 92.9 | Very high | 91.7 | Very high | 71 Ų | 71 | 70.1 Ų | 70.1 | 44% | 0.436 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 139.2 | 170.8 | 39.3 | 0 | 0 | 0 | 0 | 110.4 | F58 F94 Y95 | F58-T104 HydrophobicContact CE1-CG2 3.94Å; F58-T104 HydrophobicContact CZ-CG2 4.39Å; F94-T104 WeakPolarHBondContact O-CA 3.36Å; Y95-T104 HydrophobicContact CD2-CG2 3.69Å; Y95-T104 HydrophobicContact CE2-CG2 4.3Å |
| 105 | I | 92.5 | Very high | 91.6 | Very high | 21 Ų | 21 | 71 Ų | 71 | 11% | 0.108 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136.5 | 169.7 | -63 | 176.2 | 0 | 0 | 0 | 106.8 | L75 C93 F94 I107 | L75-I105 HydrophobicContact CD2-CD1 3.42Å; L75-I105 VanDerWaalsContact CD2-CD1 3.42Å; C93-I105 CarbonylContact C-O 3.58Å; C93-I105 VanDerWaalsContact CA-O 3.27Å; C93-I105 WeakPolarHBondContact CA-O 3.37Å; F94-I105 HydrophobicContact CB-CB 4.33Å; F94-I105 PolarHBondContact N-O 3.07Å; F94-I105 PolarHBondContact O-N 3.22Å; I105-I107 HydrophobicContact CG2-CD1 3.83Å; I105-I107 HydrophobicContact CG2-CG1 3.81Å |
| 106 | S | 93.3 | Very high | 91.4 | Very high | 50 Ų | 50 | 74 Ų | 74 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 116.3 | 172.7 | -65.9 | 0 | 0 | 0 | 0 | 108.1 | C93 | C93-S106 PolarHBondContact SG-OG 2.75Å; C93-S106 VanDerWaalsContact SG-OG 3.35Å |
| 107 | I | 94.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 79.1 Ų | 79.1 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.1 | -178.5 | -64.9 | 153.5 | 0 | 0 | 0 | 107.7 | W91 I92 I105 E111 V112 T132 H137 | W91-I107 CarbonylContact C-O 3.52Å; W91-I107 WeakPolarHBondContact CA-O 3.48Å; I92-I107 HydrophobicContact CB-CB 4.3Å; I92-I107 PolarHBondContact N-O 3.38Å; I92-I107 PolarHBondContact O-N 2.91Å; I105-I107 HydrophobicContact CG2-CD1 3.83Å; I105-I107 HydrophobicContact CG2-CG1 3.81Å; I107-E111 WeakPolarHBondContact CA-OE1 3.42Å; I107-E111 HydrophobicContact CG2-CG 4.18Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.17Å; I107-V112 HydrophobicContact CG2-CG2 3.7Å; I107-T132 HydrophobicContact CG1-CG2 4.33Å; I107-T132 HydrophobicContact CG2-CG2 3.75Å; I107-H137 WeakPolarHBondContact CD1-CD2 3.36Å |
| 108 | Q | 93.7 | Very high | 90.6 | Very high | 81 Ų | 81 | 78.6 Ų | 78.6 | 38% | 0.379 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 135.6 | 168.7 | -67.8 | -166.4 | 16.9 | 0 | 0 | 109.9 | W91 K110 E111 | W91-Q108 HydrophobicContact CD2-CG 3.91Å; W91-Q108 HydrophobicContact CE3-CG 3.74Å; W91-Q108 HydrophobicContact CH2-CG 3.5Å; W91-Q108 HydrophobicContact CZ2-CG 3.65Å; W91-Q108 HydrophobicContact CZ3-CG 3.53Å; Q108-K110 PolarHBondContact O-N 2.89Å; Q108-K110 VanDerWaalsContact O-N 3.13Å; Q108-E111 HydrophobicContact CB-CG 4.49Å; Q108-E111 PolarHBondContact N-OE1 3.13Å; Q108-E111 WeakPolarHBondContact O-CG 3.5Å; Q108-E111 PolarHBondContact O-N 3.39Å |
| 109 | L | 93.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 83.9 Ų | 83.9 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -57.8 | -29.8 | 173.7 | -74.5 | 165.9 | 0 | 0 | 0 | 111.8 | E89 N90 I92 E111 V112 L155 W156 A159 | E89-L109 WeakPolarHBondContact O-CD1 3.46Å; N90-L109 WeakPolarHBondContact O-CB 3.4Å; N90-L109 PolarHBondContact O-N 2.97Å; I92-L109 HydrophobicContact CD1-CD2 3.61Å; I92-L109 HydrophobicContact CG1-CD2 3.55Å; I92-L109 HydrophobicContact CG1-CG 4.12Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 2.96Å; L109-V112 PolarHBondContact O-N 3.42Å; L109-L155 HydrophobicContact CD1-CB 3.65Å; L109-L155 HydrophobicContact CD2-CB 4.41Å; L109-W156 HydrophobicContact CD2-CB 4.09Å; L109-A159 HydrophobicContact CB-CB 3.65Å; L109-A159 HydrophobicContact CD1-CB 4.47Å |
| 110 | K | 92.5 | Very high | 88.5 | Confident | 120 Ų | 120 | 78 Ų | 78 | 52% | 0.522 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -69.4 | -21.6 | 177.4 | -56.5 | -161.1 | -178.6 | -132.8 | 0 | 114.5 | Q108 A159 | Q108-K110 PolarHBondContact O-N 2.89Å; Q108-K110 VanDerWaalsContact O-N 3.13Å; K110-A159 WeakPolarHBondContact CE-O 3.14Å; K110-A159 HydrophobicContact CG-CB 4.16Å; K110-A159 PolarHBondContact NZ-O 3.31Å |
| 111 | E | 93.4 | Very high | 86.6 | Confident | 73 Ų | 73 | 71 Ų | 71 | 34% | 0.341 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -95.4 | -3.5 | 178.3 | 93.4 | -157.8 | 143.3 | 0 | 0 | 112.9 | I107 Q108 L109 T113 T132 | I107-E111 WeakPolarHBondContact CA-OE1 3.42Å; I107-E111 HydrophobicContact CG2-CG 4.18Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.17Å; Q108-E111 HydrophobicContact CB-CG 4.49Å; Q108-E111 PolarHBondContact N-OE1 3.13Å; Q108-E111 WeakPolarHBondContact O-CG 3.5Å; Q108-E111 PolarHBondContact O-N 3.39Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 2.96Å; E111-T113 PolarHBondContact O-N 3.03Å; E111-T132 HydrophobicContact CG-CG2 3.79Å; E111-T132 VanDerWaalsContact O-CA 3.3Å; E111-T132 WeakPolarHBondContact O-CA 3.43Å |
| 112 | V | 94.5 | Very high | 85 | Confident | 6 Ų | 6 | 71.5 Ų | 71.5 | 4% | 0.036 | 37% | 0.366 | C | S | . | . | trans | -72.7 | 115.4 | 175.3 | 176.5 | 0 | 0 | 0 | 0 | 109.1 | I92 I107 L109 L115 I130 C131 W156 | I92-V112 HydrophobicContact CD1-CG2 4.36Å; I107-V112 HydrophobicContact CG2-CG2 3.7Å; L109-V112 PolarHBondContact O-N 3.42Å; V112-L115 HydrophobicContact CG1-CD1 3.84Å; V112-L115 HydrophobicContact CG1-CG 3.99Å; V112-I130 HydrophobicContact CG1-CG2 3.92Å; V112-I130 HydrophobicContact CG2-CG2 3.86Å; V112-C131 CarbonylContact C-O 3.58Å; V112-C131 WeakPolarHBondContact CA-O 3.4Å; V112-W156 HydrophobicContact CG1-CD2 4.35Å; V112-W156 HydrophobicContact CG1-CG 4.47Å; V112-W156 HydrophobicContact CG1-CZ2 4.36Å; V112-W156 VanDerWaalsContact O-CE2 3.31Å; V112-W156 WeakPolarHBondContact O-CZ2 3.33Å; V112-W156 PolarHBondContact O-NE1 3.5Å | ||
| 113 | T | 94.1 | Very high | 83.2 | Confident | 73 Ų | 73 | 73.5 Ų | 73.5 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | trans | -88.8 | -29.9 | 179.2 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | E111 C131 T132 E133 | E111-T113 PolarHBondContact O-N 3.03Å; T113-C131 PolarHBondContact N-O 3.14Å; T113-C131 PolarHBondContact OG1-O 3.29Å; T113-T132 PolarHBondContact OG1-O 3.35Å; T113-E133 HydrophobicContact CG2-CB 4.49Å; T113-E133 HydrophobicContact CG2-CG 3.61Å | ||
| 114 | C | 91.6 | Very high | 81.6 | Confident | 36 Ų | 36 | 74.6 Ų | 74.6 | 24% | 0.243 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 132.4 | -173 | 160.8 | 0 | 0 | 0 | 0 | 112.9 | C131 | C114-C131 HydrophobicContact CB-CB 3.9Å; C114-C131 PolarHBondContact N-O 2.84Å; C114-C131 PolarHBondContact O-N 3.28Å |
| 115 | L | 93.1 | Very high | 79.8 | Confident | 19 Ų | 19 | 74.2 Ų | 74.2 | 10% | 0.099 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.1 | 175.6 | -94.5 | 150.5 | 0 | 0 | 0 | 111.1 | V112 I128 I130 F149 I152 W156 | V112-L115 HydrophobicContact CG1-CD1 3.84Å; V112-L115 HydrophobicContact CG1-CG 3.99Å; L115-I128 HydrophobicContact CD2-CG2 4.07Å; L115-I130 HydrophobicContact CD2-CD1 4.3Å; L115-I130 HydrophobicContact CD2-CG1 3.86Å; L115-F149 HydrophobicContact CB-CE2 4.1Å; L115-F149 HydrophobicContact CD2-CE2 4.45Å; L115-I152 HydrophobicContact CD1-CG2 3.71Å; L115-I152 HydrophobicContact CD2-CG2 3.65Å; L115-I152 HydrophobicContact CG-CG2 4.33Å; L115-W156 HydrophobicContact CB-CE3 4.43Å; L115-W156 HydrophobicContact CB-CZ3 4.34Å; L115-W156 HydrophobicContact CD1-CB 4.01Å; L115-W156 HydrophobicContact CD1-CD2 3.8Å; L115-W156 HydrophobicContact CD1-CE3 3.63Å; L115-W156 HydrophobicContact CD1-CG 4Å; L115-W156 HydrophobicContact CD1-CZ3 4.32Å |
| 116 | K | 90.8 | Very high | 79 | Confident | 100 Ų | 100 | 76.4 Ų | 76.4 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.8 | -178.9 | -70.9 | 179.3 | 177.7 | -175.3 | 0 | 113 | E118 I128 Q129 | K116-E118 HydrophobicContact CB-CG 4.2Å; K116-E118 WeakPolarHBondContact CD-OE1 3.2Å; K116-I128 WeakPolarHBondContact O-CA 3.45Å; K116-Q129 HydrophobicContact CB-CB 4.31Å; K116-Q129 PolarHBondContact N-O 2.86Å; K116-Q129 PolarHBondContact O-N 3.49Å |
| 117 | K | 88.9 | Confident | 78.6 | Confident | 109 Ų | 109 | 74 Ų | 74 | 47% | 0.474 | 38% | 0.377 | S | S | . | . | trans | -95 | 98.7 | 168.1 | -72 | 178.1 | -73 | -174.3 | 0 | 108.4 | D146 F149 | K117-D146 WeakPolarHBondContact CD-OD1 3.49Å; K117-F149 HydrophobicContact CD-CB 4.22Å; K117-F149 HydrophobicContact CD-CD1 3.63Å; K117-F149 HydrophobicContact CD-CD2 4.15Å; K117-F149 HydrophobicContact CD-CE1 4.01Å; K117-F149 HydrophobicContact CD-CE2 4.47Å; K117-F149 HydrophobicContact CD-CG 3.7Å; K117-F149 HydrophobicContact CD-CZ 4.41Å; K117-F149 HydrophobicContact CG-CB 4.15Å; K117-F149 HydrophobicContact CG-CD1 3.88Å; K117-F149 HydrophobicContact CG-CD2 3.44Å; K117-F149 VanDerWaalsContact CG-CD2 3.44Å; K117-F149 HydrophobicContact CG-CE1 4.15Å; K117-F149 HydrophobicContact CG-CE2 3.72Å; K117-F149 HydrophobicContact CG-CG 3.52Å; K117-F149 HydrophobicContact CG-CZ 4.07Å | ||
| 118 | E | 78.3 | Confident | 78.5 | Confident | 68 Ų | 68 | 73.8 Ų | 73.8 | 32% | 0.318 | 38% | 0.376 | S | S | . | . | trans | -96.4 | 159.7 | -176.8 | -72 | -59.3 | 157.3 | 0 | 0 | 112.5 | K116 A127 Q129 F138 | K116-E118 HydrophobicContact CB-CG 4.2Å; K116-E118 WeakPolarHBondContact CD-OE1 3.2Å; E118-A127 HydrophobicContact CB-CB 4.44Å; E118-A127 PolarHBondContact N-O 2.87Å; E118-Q129 HydrophobicContact CG-CB 3.91Å; E118-F138 HydrophobicContact CG-CE1 4.42Å | ||
| 119 | K | 68.8 | Low | 78.5 | Confident | 157 Ų | 157 | 70.7 Ų | 70.7 | 68% | 0.683 | 36% | 0.362 | S | S | * | . | trans | -121.2 | 108.6 | 172.2 | -63.8 | 177.1 | -175.7 | 174.4 | 0 | 108.2 | A121 P125 | K119-A121 PolarHBondContact O-N 3.32Å; K119-P125 HydrophobicContact CG-CB 4.28Å | ||
| 120 | T | 58.9 | Low | 78.5 | Confident | 60 Ų | 60 | 70.7 Ų | 70.7 | 37% | 0.368 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -61.5 | 124.5 | 177.8 | -54.2 | 0 | 0 | 0 | 0 | 109.3 | K122 I124 | T120-K122 PolarHBondContact O-N 3.34Å; T120-I124 WeakPolarHBondContact CB-O 3.38Å; T120-I124 PolarHBondContact N-O 3.17Å; T120-I124 PolarHBondContact O-N 2.81Å |
| 121 | A | 46 | Very low | 78.6 | Confident | 89 Ų | 89 | 65.3 Ų | 65.3 | 74% | 0.736 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 138.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K119 L123 | K119-A121 PolarHBondContact O-N 3.32Å; A121-L123 PolarHBondContact O-N 2.94Å |
| 122 | K | 52.2 | Low | 78.6 | Confident | 214 Ų | 214 | 62.2 Ų | 62.2 | 93% | 0.93 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | -13.2 | 176.3 | -61.8 | -174 | 176.3 | -179.2 | 0 | 119.6 | T120 | T120-K122 PolarHBondContact O-N 3.34Š|
| 123 | L | 53.8 | Low | 78.4 | Confident | 155 Ų | 155 | 70.3 Ų | 70.3 | 81% | 0.812 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.9 | -29.6 | 175 | -147.7 | 64 | 0 | 0 | 0 | 120.2 | A121 | A121-L123 PolarHBondContact O-N 2.94Š|
| 124 | I | 57.5 | Low | 78.1 | Confident | 59 Ų | 59 | 71.7 Ų | 71.7 | 30% | 0.303 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -121.8 | 102.3 | -171.2 | -56.9 | -178.9 | 0 | 0 | 0 | 112 | T120 N126 | T120-I124 WeakPolarHBondContact CB-O 3.38Å; T120-I124 PolarHBondContact N-O 3.17Å; T120-I124 PolarHBondContact O-N 2.81Å; I124-N126 VanDerWaalsContact C-N 3.29Å; I124-N126 HydrophobicContact CG2-CB 4.47Å; I124-N126 PolarHBondContact O-N 3.43Å |
| 125 | P | 55.7 | Low | 78.1 | Confident | 63 Ų | 63 | 73.5 Ų | 73.5 | 41% | 0.409 | 38% | 0.38 | S | S | . | . | trans | -82.4 | 1.7 | -179.7 | 33.9 | -36.5 | 0 | 0 | 0 | 114.4 | K119 A127 R145 | K119-P125 HydrophobicContact CG-CB 4.28Å; P125-A127 PolarHBondContact O-N 2.59Å; P125-R145 PolarHBondContact O-NH1 3.39Å | ||
| 126 | N | 74.1 | Confident | 78 | Confident | 67 Ų | 67 | 79.1 Ų | 79.1 | 36% | 0.358 | 40% | 0.404 | S | S | . | . | trans | -102.5 | 54.6 | -169.9 | -69.1 | -18.6 | 0 | 0 | 0 | 112.7 | I124 T140 S141 F142 | I124-N126 VanDerWaalsContact C-N 3.29Å; I124-N126 HydrophobicContact CG2-CB 4.47Å; I124-N126 PolarHBondContact O-N 3.43Å; N126-T140 CarbonylContact O-C 3.6Å; N126-S141 PolarHBondContact O-N 3.18Å; N126-F142 PolarHBondContact O-N 2.7Å | ||
| 127 | A | 86.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 38% | 0.384 | C | S | . | . | trans | -115.3 | 152.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E118 P125 F139 T140 R145 | E118-A127 HydrophobicContact CB-CB 4.44Å; E118-A127 PolarHBondContact N-O 2.87Å; P125-A127 PolarHBondContact O-N 2.59Å; A127-F139 CarbonylContact C-O 3.49Å; A127-F139 WeakPolarHBondContact CA-O 3.33Å; A127-F139 WeakPolarHBondContact CB-O 3.49Å; A127-T140 HydrophobicContact CB-CG2 4.12Å; A127-R145 WeakPolarHBondContact O-CD 3.34Å | ||
| 128 | I | 91.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.6 | 169.3 | -58.8 | 173.7 | 0 | 0 | 0 | 106.8 | L115 K116 I130 F139 F142 R145 C148 F149 I152 | L115-I128 HydrophobicContact CD2-CG2 4.07Å; K116-I128 WeakPolarHBondContact O-CA 3.45Å; I128-I130 HydrophobicContact CG2-CG1 4.29Å; I128-F139 PolarHBondContact N-O 3.19Å; I128-F139 PolarHBondContact O-N 3Å; I128-F142 HydrophobicContact CB-CD2 4.46Å; I128-F142 HydrophobicContact CB-CE2 3.71Å; I128-F142 HydrophobicContact CB-CZ 4.29Å; I128-F142 HydrophobicContact CD1-CD2 3.99Å; I128-F142 HydrophobicContact CD1-CE1 4.39Å; I128-F142 HydrophobicContact CD1-CE2 3.68Å; I128-F142 HydrophobicContact CD1-CG 4.46Å; I128-F142 HydrophobicContact CD1-CZ 3.89Å; I128-F142 HydrophobicContact CG1-CD2 3.95Å; I128-F142 HydrophobicContact CG1-CE2 3.64Å; I128-F142 HydrophobicContact CG1-CZ 4.3Å; I128-R145 HydrophobicContact CD1-CG 4.24Å; I128-R145 HydrophobicContact CG1-CG 3.84Å; I128-C148 HydrophobicContact CD1-CB 4Å; I128-F149 HydrophobicContact CD1-CB 3.86Å; I128-F149 HydrophobicContact CG1-CB 4.36Å; I128-F149 HydrophobicContact CG2-CD2 4.06Å; I128-I152 HydrophobicContact CD1-CD1 4.46Å |
| 129 | Q | 92.4 | Very high | 79 | Confident | 16 Ų | 16 | 69.9 Ų | 69.9 | 8% | 0.075 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.1 | 171.9 | -177.2 | -171.8 | -14.8 | 0 | 0 | 109.3 | K116 E118 C131 H137 F138 | K116-Q129 HydrophobicContact CB-CB 4.31Å; K116-Q129 PolarHBondContact N-O 2.86Å; K116-Q129 PolarHBondContact O-N 3.49Å; E118-Q129 HydrophobicContact CG-CB 3.91Å; Q129-C131 PolarHBondContact NE2-SG 3.49Å; Q129-H137 WeakPolarHBondContact CA-O 3.48Å; Q129-F138 HydrophobicContact CB-CD1 3.97Å; Q129-F138 HydrophobicContact CB-CE1 3.92Å; Q129-F138 VanDerWaalsContact CD-CE1 3.45Å; Q129-F138 HydrophobicContact CG-CD1 3.98Å; Q129-F138 HydrophobicContact CG-CD2 4.47Å; Q129-F138 HydrophobicContact CG-CE1 3.68Å; Q129-F138 HydrophobicContact CG-CE2 4.21Å; Q129-F138 HydrophobicContact CG-CG 4.37Å; Q129-F138 HydrophobicContact CG-CZ 3.81Å; Q129-F138 VanDerWaalsContact OE1-CE1 3.23Å |
| 130 | I | 94.3 | Very high | 80 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.8 | 172.1 | -47.8 | -169.6 | 0 | 0 | 0 | 107.3 | I92 V112 L115 I128 K136 H137 F139 | I92-I130 HydrophobicContact CD1-CD1 3.74Å; I92-I130 HydrophobicContact CG2-CD1 4.13Å; V112-I130 HydrophobicContact CG1-CG2 3.92Å; V112-I130 HydrophobicContact CG2-CG2 3.86Å; L115-I130 HydrophobicContact CD2-CD1 4.3Å; L115-I130 HydrophobicContact CD2-CG1 3.86Å; I128-I130 HydrophobicContact CG2-CG1 4.29Å; I130-K136 CarbonylContact O-C 3.56Å; I130-H137 PolarHBondContact N-O 3.49Å; I130-H137 PolarHBondContact O-N 3.03Å; I130-F139 HydrophobicContact CB-CE2 4.48Å; I130-F139 HydrophobicContact CD1-CD2 3.99Å; I130-F139 HydrophobicContact CD1-CE2 3.78Å; I130-F139 HydrophobicContact CG1-CD2 4.04Å; I130-F139 HydrophobicContact CG1-CE2 4.06Å |
| 131 | C | 93.7 | Very high | 81.4 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.7 | 173.6 | -46.4 | 0 | 0 | 0 | 0 | 108.2 | V112 T113 C114 Q129 K136 | V112-C131 CarbonylContact C-O 3.58Å; V112-C131 WeakPolarHBondContact CA-O 3.4Å; T113-C131 PolarHBondContact N-O 3.14Å; T113-C131 PolarHBondContact OG1-O 3.29Å; C114-C131 HydrophobicContact CB-CB 3.9Å; C114-C131 PolarHBondContact N-O 2.84Å; C114-C131 PolarHBondContact O-N 3.28Å; Q129-C131 PolarHBondContact NE2-SG 3.49Å; C131-K136 HydrophobicContact CB-CG 4.18Å |
| 132 | T | 93.8 | Very high | 83.3 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | trans | -94.3 | -168.5 | 162.9 | 58.8 | 0 | 0 | 0 | 0 | 108.9 | I107 E111 T113 S134 E135 | I107-T132 HydrophobicContact CG1-CG2 4.33Å; I107-T132 HydrophobicContact CG2-CG2 3.75Å; E111-T132 HydrophobicContact CG-CG2 3.79Å; E111-T132 VanDerWaalsContact O-CA 3.3Å; E111-T132 WeakPolarHBondContact O-CA 3.43Å; T113-T132 PolarHBondContact OG1-O 3.35Å; T132-S134 VanDerWaalsContact C-N 3.31Å; T132-S134 PolarHBondContact OG1-N 2.68Å; T132-S134 PolarHBondContact OG1-OG 2.86Å; T132-E135 PolarHBondContact N-O 3.17Å; T132-E135 PolarHBondContact OG1-N 2.94Å; T132-E135 PolarHBondContact OG1-O 2.87Å | ||
| 133 | E | 90.1 | Very high | 84.9 | Confident | 175 Ų | 175 | 52.4 Ų | 52.4 | 82% | 0.818 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -72.3 | -27.3 | 163.4 | -62.2 | -171.7 | 156.5 | 0 | 0 | 112.2 | T113 | T113-E133 HydrophobicContact CG2-CB 4.49Å; T113-E133 HydrophobicContact CG2-CG 3.61Å |
| 134 | S | 89.4 | Confident | 86.5 | Confident | 103 Ų | 103 | 46.8 Ų | 46.8 | 72% | 0.72 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -93.3 | -47.4 | -170.8 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | T132 | T132-S134 VanDerWaalsContact C-N 3.31Å; T132-S134 PolarHBondContact OG1-N 2.68Å; T132-S134 PolarHBondContact OG1-OG 2.86Å |
| 135 | E | 90.9 | Very high | 88 | Confident | 74 Ų | 74 | 46.4 Ų | 46.4 | 35% | 0.346 | 27% | 0.268 | S | S | . | . | trans | -147.4 | -177 | -179.2 | 70.7 | 166.3 | 144.8 | 0 | 0 | 113.6 | R77 T132 H137 | R77-E135 IonicContact CZ-OE1 2.69Å; R77-E135 IonicContact CZ-OE2 3.58Å; R77-E135 IonicContact NH1-OE1 2.7Å; R77-E135 IonicContact NH1-OE2 3.27Å; R77-E135 PolarHBondContact NH1-OE2 3.16Å; R77-E135 IonicContact NH2-OE1 2.92Å; R77-E135 PolarHBondContact NH2-OE1 3.34Å; R77-E135 IonicContact NH2-OE2 3.65Å; R77-E135 PolarHBondContact NH2-OE2 3.45Å; T132-E135 PolarHBondContact N-O 3.17Å; T132-E135 PolarHBondContact OG1-N 2.94Å; T132-E135 PolarHBondContact OG1-O 2.87Å; E135-H137 VanDerWaalsContact CG-CE1 3.47Å; E135-H137 WeakPolarHBondContact CG-CE1 3.32Å; E135-H137 IonicContact OE1-CE1 3.09Å; E135-H137 PolarHBondContact OE1-CE1 2.85Å; E135-H137 IonicContact OE1-ND1 3.84Å; E135-H137 IonicContact OE1-NE2 3.92Å; E135-H137 IonicContact OE2-CE1 3.94Å | ||
| 136 | K | 91.3 | Very high | 89.6 | Confident | 137 Ų | 137 | 46.6 Ų | 46.6 | 60% | 0.596 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 106.7 | -175.7 | -70.7 | 170.1 | -178.9 | 162.6 | 0 | 109.7 | I130 C131 F138 | I130-K136 CarbonylContact O-C 3.56Å; C131-K136 HydrophobicContact CB-CG 4.18Å; K136-F138 HydrophobicContact CB-CE2 4.19Å |
| 137 | H | 92.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.028 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 121.9 | -178.8 | -53 | -78.8 | 0 | 0 | 0 | 110.6 | L75 I107 Q129 I130 E135 F139 | L75-H137 HydrophobicContact CD1-CB 4.12Å; I107-H137 WeakPolarHBondContact CD1-CD2 3.36Å; Q129-H137 WeakPolarHBondContact CA-O 3.48Å; I130-H137 PolarHBondContact N-O 3.49Å; I130-H137 PolarHBondContact O-N 3.03Å; E135-H137 VanDerWaalsContact CG-CE1 3.47Å; E135-H137 WeakPolarHBondContact CG-CE1 3.32Å; E135-H137 IonicContact OE1-CE1 3.09Å; E135-H137 PolarHBondContact OE1-CE1 2.85Å; E135-H137 IonicContact OE1-ND1 3.84Å; E135-H137 IonicContact OE1-NE2 3.92Å; E135-H137 IonicContact OE2-CE1 3.94Å; H137-F139 HydrophobicContact CB-CD2 4.14Å; H137-F139 HydrophobicContact CB-CE2 3.47Å; H137-F139 VanDerWaalsContact CB-CE2 3.47Å; H137-F139 HydrophobicContact CB-CZ 3.92Å |
| 138 | F | 91.8 | Very high | 90.7 | Very high | 75 Ų | 75 | 52.6 Ų | 52.6 | 33% | 0.329 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 97.9 | 176 | -73.3 | -92.6 | 0 | 0 | 0 | 109.9 | Q76 E118 Q129 K136 | Q76-F138 HydrophobicContact CB-CB 4.02Å; Q76-F138 WeakPolarHBondContact CB-O 3.39Å; Q76-F138 PolarHBondContact N-O 3.1Å; E118-F138 HydrophobicContact CG-CE1 4.42Å; Q129-F138 HydrophobicContact CB-CD1 3.97Å; Q129-F138 HydrophobicContact CB-CE1 3.92Å; Q129-F138 VanDerWaalsContact CD-CE1 3.45Å; Q129-F138 HydrophobicContact CG-CD1 3.98Å; Q129-F138 HydrophobicContact CG-CD2 4.47Å; Q129-F138 HydrophobicContact CG-CE1 3.68Å; Q129-F138 HydrophobicContact CG-CE2 4.21Å; Q129-F138 HydrophobicContact CG-CG 4.37Å; Q129-F138 HydrophobicContact CG-CZ 3.81Å; Q129-F138 VanDerWaalsContact OE1-CE1 3.23Å; K136-F138 HydrophobicContact CB-CE2 4.19Å |
| 139 | F | 92.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 138.3 | 173.4 | -60.2 | -82 | 0 | 0 | 0 | 109.9 | A74 L75 L85 F94 A127 I128 I130 H137 F142 | A74-F139 CarbonylContact O-C 3.6Å; A74-F139 WeakPolarHBondContact O-CA 3.24Å; L75-F139 HydrophobicContact CB-CD1 4.18Å; L75-F139 HydrophobicContact CB-CE1 4.2Å; L75-F139 HydrophobicContact CD1-CD1 3.98Å; L75-F139 HydrophobicContact CD1-CE1 3.8Å; L75-F139 HydrophobicContact CD1-CG 4.48Å; L75-F139 HydrophobicContact CD1-CZ 4.15Å; L75-F139 HydrophobicContact CG-CE1 4.44Å; L85-F139 HydrophobicContact CD1-CD1 4.22Å; L85-F139 HydrophobicContact CD1-CE1 3.85Å; L85-F139 HydrophobicContact CD1-CE2 4.39Å; L85-F139 HydrophobicContact CD1-CZ 3.94Å; F94-F139 HydrophobicContact CB-CE1 3.82Å; F94-F139 HydrophobicContact CB-CZ 4.27Å; F94-F139 HydrophobicContact CD1-CE1 4.32Å; F94-F139 HydrophobicContact CD2-CD1 4.14Å; F94-F139 AromaticContact CD2-CE1 3.74Å; F94-F139 HydrophobicContact CD2-CE1 3.74Å; F94-F139 HydrophobicContact CE2-CD1 4.5Å; F94-F139 HydrophobicContact CE2-CE1 4.42Å; F94-F139 AromaticContact CG-CE1 3.69Å; F94-F139 HydrophobicContact CG-CE1 3.69Å; A127-F139 CarbonylContact C-O 3.49Å; A127-F139 WeakPolarHBondContact CA-O 3.33Å; A127-F139 WeakPolarHBondContact CB-O 3.49Å; I128-F139 PolarHBondContact N-O 3.19Å; I128-F139 PolarHBondContact O-N 3Å; I130-F139 HydrophobicContact CB-CE2 4.48Å; I130-F139 HydrophobicContact CD1-CD2 3.99Å; I130-F139 HydrophobicContact CD1-CE2 3.78Å; I130-F139 HydrophobicContact CG1-CD2 4.04Å; I130-F139 HydrophobicContact CG1-CE2 4.06Å; H137-F139 HydrophobicContact CB-CD2 4.14Å; H137-F139 HydrophobicContact CB-CE2 3.47Å; H137-F139 VanDerWaalsContact CB-CE2 3.47Å; H137-F139 HydrophobicContact CB-CZ 3.92Å; F139-F142 HydrophobicContact CB-CE2 3.43Å; F139-F142 VanDerWaalsContact CB-CE2 3.43Å; F139-F142 HydrophobicContact CB-CZ 3.4Å; F139-F142 HydrophobicContact CG-CZ 4.31Å; F139-F142 WeakPolarHBondContact O-CE2 3.35Å |
| 140 | T | 90.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 176.7 | -170.6 | 70.8 | 0 | 0 | 0 | 0 | 111.1 | C73 A74 Q76 L80 N126 A127 F142 | C73-T140 WeakPolarHBondContact CA-O 3.47Å; C73-T140 VanDerWaalsContact CB-O 3.32Å; C73-T140 WeakPolarHBondContact CB-O 3.4Å; A74-T140 PolarHBondContact N-O 3.25Å; A74-T140 PolarHBondContact O-N 2.9Å; A74-T140 PolarHBondContact O-OG1 2.87Å; A74-T140 VanDerWaalsContact O-OG1 3.07Å; Q76-T140 HydrophobicContact CB-CG2 4.16Å; L80-T140 WeakPolarHBondContact CD2-OG1 3.5Å; N126-T140 CarbonylContact O-C 3.6Å; A127-T140 HydrophobicContact CB-CG2 4.12Å; T140-F142 PolarHBondContact O-N 2.68Å; T140-F142 VanDerWaalsContact O-N 3.14Å |
| 141 | S | 87.4 | Confident | 90.9 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 43% | 0.434 | 32% | 0.323 | S | S | . | . | trans | 58.5 | 26.9 | 175.5 | -59.1 | 0 | 0 | 0 | 0 | 115.1 | N126 G143 | N126-S141 PolarHBondContact O-N 3.18Å; S141-G143 PolarHBondContact O-N 3.12Å | ||
| 142 | F | 87.5 | Confident | 90.9 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | trans | -67.8 | 118.6 | 174.6 | -69.8 | -77.6 | 0 | 0 | 0 | 111.7 | C73 L85 N126 I128 F139 T140 A144 R145 C148 | C73-F142 HydrophobicContact CB-CD1 3.77Å; C73-F142 HydrophobicContact CB-CE1 3.58Å; C73-F142 HydrophobicContact CB-CE2 4.47Å; C73-F142 HydrophobicContact CB-CG 4.3Å; C73-F142 HydrophobicContact CB-CZ 3.98Å; L85-F142 HydrophobicContact CD2-CE1 4.06Å; L85-F142 HydrophobicContact CD2-CZ 4.16Å; N126-F142 PolarHBondContact O-N 2.7Å; I128-F142 HydrophobicContact CB-CD2 4.46Å; I128-F142 HydrophobicContact CB-CE2 3.71Å; I128-F142 HydrophobicContact CB-CZ 4.29Å; I128-F142 HydrophobicContact CD1-CD2 3.99Å; I128-F142 HydrophobicContact CD1-CE1 4.39Å; I128-F142 HydrophobicContact CD1-CE2 3.68Å; I128-F142 HydrophobicContact CD1-CG 4.46Å; I128-F142 HydrophobicContact CD1-CZ 3.89Å; I128-F142 HydrophobicContact CG1-CD2 3.95Å; I128-F142 HydrophobicContact CG1-CE2 3.64Å; I128-F142 HydrophobicContact CG1-CZ 4.3Å; F139-F142 HydrophobicContact CB-CE2 3.43Å; F139-F142 VanDerWaalsContact CB-CE2 3.43Å; F139-F142 HydrophobicContact CB-CZ 3.4Å; F139-F142 HydrophobicContact CG-CZ 4.31Å; F139-F142 WeakPolarHBondContact O-CE2 3.35Å; T140-F142 PolarHBondContact O-N 2.68Å; T140-F142 VanDerWaalsContact O-N 3.14Å; F142-A144 PolarHBondContact O-N 3.3Å; F142-R145 HydrophobicContact CB-CB 4.07Å; F142-C148 HydrophobicContact CD1-CB 4.25Å; F142-C148 HydrophobicContact CE1-CB 4.43Å; F142-C148 WeakPolarHBondContact CE1-SG 3.29Å | ||
| 143 | G | 85.6 | Confident | 90.9 | Very high | 85 Ų | 85 | 63.3 Ų | 63.3 | 88% | 0.876 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S141 | S141-G143 PolarHBondContact O-N 3.12Š|
| 144 | A | 86.4 | Confident | 91.1 | Very high | 38 Ų | 38 | 63.9 Ų | 63.9 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.3 | 51.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | F142 D146 R147 C148 | F142-A144 PolarHBondContact O-N 3.3Å; A144-D146 VanDerWaalsContact C-N 3.31Å; A144-D146 PolarHBondContact O-N 2.9Å; A144-D146 VanDerWaalsContact O-N 3.12Å; A144-R147 HydrophobicContact CB-CB 4.4Å; A144-R147 PolarHBondContact O-N 3.15Å; A144-R147 VanDerWaalsContact O-N 3.09Å; A144-C148 PolarHBondContact O-N 2.72Å; A144-C148 VanDerWaalsContact O-N 3.11Å |
| 145 | R | 89.6 | Confident | 91.3 | Very high | 50 Ų | 50 | 59.9 Ų | 59.9 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -38.9 | -54.8 | -174.6 | -174.6 | -159.5 | 62.2 | -140.3 | -7.7 | 113.3 | P125 A127 I128 F142 R147 C148 F149 | P125-R145 PolarHBondContact O-NH1 3.39Å; A127-R145 WeakPolarHBondContact O-CD 3.34Å; I128-R145 HydrophobicContact CD1-CG 4.24Å; I128-R145 HydrophobicContact CG1-CG 3.84Å; F142-R145 HydrophobicContact CB-CB 4.07Å; R145-R147 PolarHBondContact O-N 3.39Å; R145-C148 WeakPolarHBondContact O-CB 3.44Å; R145-C148 PolarHBondContact O-N 3.37Å; R145-F149 WeakPolarHBondContact O-CB 3.44Å; R145-F149 PolarHBondContact O-N 3.19Å |
| 146 | D | 90.1 | Very high | 91.4 | Very high | 68 Ų | 68 | 58 Ų | 58 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -72.7 | -29.7 | -170.8 | -62.8 | -43.4 | 0 | 0 | 0 | 113.6 | K117 A144 L150 | K117-D146 WeakPolarHBondContact CD-OD1 3.49Å; A144-D146 VanDerWaalsContact C-N 3.31Å; A144-D146 PolarHBondContact O-N 2.9Å; A144-D146 VanDerWaalsContact O-N 3.12Å; D146-L150 WeakPolarHBondContact O-CB 3.46Å; D146-L150 WeakPolarHBondContact O-CD1 3.41Å; D146-L150 WeakPolarHBondContact O-CG 3.43Å; D146-L150 PolarHBondContact O-N 3.22Å |
| 147 | R | 91.2 | Very high | 91.5 | Very high | 192 Ų | 192 | 55.6 Ų | 55.6 | 73% | 0.725 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68.2 | -42.9 | 171 | -68.6 | -176.1 | -178.9 | 163.6 | 0.5 | 111 | A144 R145 L151 | A144-R147 HydrophobicContact CB-CB 4.4Å; A144-R147 PolarHBondContact O-N 3.15Å; A144-R147 VanDerWaalsContact O-N 3.09Å; R145-R147 PolarHBondContact O-N 3.39Å; R147-L151 WeakPolarHBondContact O-CB 3.39Å; R147-L151 PolarHBondContact O-N 2.91Å |
| 148 | C | 92 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 176 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | Y71 I128 F142 A144 R145 L150 L151 I152 | Y71-C148 HydrophobicContact CD1-CB 4.41Å; Y71-C148 HydrophobicContact CD2-CB 4Å; Y71-C148 WeakPolarHBondContact CD2-SG 3.14Å; Y71-C148 HydrophobicContact CE1-CB 4.28Å; Y71-C148 HydrophobicContact CE2-CB 3.82Å; Y71-C148 HydrophobicContact CG-CB 4.28Å; I128-C148 HydrophobicContact CD1-CB 4Å; F142-C148 HydrophobicContact CD1-CB 4.25Å; F142-C148 HydrophobicContact CE1-CB 4.43Å; F142-C148 WeakPolarHBondContact CE1-SG 3.29Å; A144-C148 PolarHBondContact O-N 2.72Å; A144-C148 VanDerWaalsContact O-N 3.11Å; R145-C148 WeakPolarHBondContact O-CB 3.44Å; R145-C148 PolarHBondContact O-N 3.37Å; C148-L150 PolarHBondContact O-N 3.23Å; C148-L151 PolarHBondContact O-N 3.41Å; C148-I152 VanDerWaalsContact O-CG1 3.28Å; C148-I152 WeakPolarHBondContact O-CG1 3.33Å; C148-I152 PolarHBondContact O-N 3.04Å; C148-I152 VanDerWaalsContact SG-CD1 3.59Å |
| 149 | F | 93.6 | Very high | 91.3 | Very high | 22 Ų | 22 | 57 Ų | 57 | 10% | 0.096 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -48 | 177.2 | -179.6 | -93.4 | 0 | 0 | 0 | 112.7 | L115 K117 I128 R145 L151 I152 F153 | L115-F149 HydrophobicContact CB-CE2 4.1Å; L115-F149 HydrophobicContact CD2-CE2 4.45Å; K117-F149 HydrophobicContact CD-CB 4.22Å; K117-F149 HydrophobicContact CD-CD1 3.63Å; K117-F149 HydrophobicContact CD-CD2 4.15Å; K117-F149 HydrophobicContact CD-CE1 4.01Å; K117-F149 HydrophobicContact CD-CE2 4.47Å; K117-F149 HydrophobicContact CD-CG 3.7Å; K117-F149 HydrophobicContact CD-CZ 4.41Å; K117-F149 HydrophobicContact CG-CB 4.15Å; K117-F149 HydrophobicContact CG-CD1 3.88Å; K117-F149 HydrophobicContact CG-CD2 3.44Å; K117-F149 VanDerWaalsContact CG-CD2 3.44Å; K117-F149 HydrophobicContact CG-CE1 4.15Å; K117-F149 HydrophobicContact CG-CE2 3.72Å; K117-F149 HydrophobicContact CG-CG 3.52Å; K117-F149 HydrophobicContact CG-CZ 4.07Å; I128-F149 HydrophobicContact CD1-CB 3.86Å; I128-F149 HydrophobicContact CG1-CB 4.36Å; I128-F149 HydrophobicContact CG2-CD2 4.06Å; R145-F149 WeakPolarHBondContact O-CB 3.44Å; R145-F149 PolarHBondContact O-N 3.19Å; F149-L151 VanDerWaalsContact C-N 3.31Å; F149-L151 PolarHBondContact O-N 3.28Å; F149-I152 PolarHBondContact O-N 3.44Å; F149-F153 HydrophobicContact CE1-CB 4.49Å; F149-F153 VanDerWaalsContact O-CB 3.23Å; F149-F153 WeakPolarHBondContact O-CB 3.43Å; F149-F153 PolarHBondContact O-N 3.26Å |
| 150 | L | 93.5 | Very high | 91 | Very high | 110 Ų | 110 | 61.5 Ų | 61.5 | 58% | 0.576 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.6 | -36.7 | 179.7 | -74.5 | 169.9 | 0 | 0 | 0 | 112.3 | D146 C148 R154 | D146-L150 WeakPolarHBondContact O-CB 3.46Å; D146-L150 WeakPolarHBondContact O-CD1 3.41Å; D146-L150 WeakPolarHBondContact O-CG 3.43Å; D146-L150 PolarHBondContact O-N 3.22Å; C148-L150 PolarHBondContact O-N 3.23Å; L150-R154 WeakPolarHBondContact O-CB 3.49Å; L150-R154 PolarHBondContact O-N 3.25Å |
| 151 | L | 94.2 | Very high | 90.4 | Very high | 43 Ų | 43 | 70.7 Ų | 70.7 | 23% | 0.225 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71 | -46.9 | 176.4 | -178.2 | 57.9 | 0 | 0 | 0 | 111.8 | I68 V69 Y71 L87 R147 C148 F149 F153 R154 L155 | I68-L151 HydrophobicContact CG2-CD2 4.43Å; V69-L151 HydrophobicContact CB-CD2 4.46Å; V69-L151 HydrophobicContact CG1-CD2 3.38Å; Y71-L151 HydrophobicContact CE2-CD2 4.43Å; L87-L151 HydrophobicContact CD1-CD2 4.01Å; L87-L151 HydrophobicContact CD1-CG 4.12Å; R147-L151 WeakPolarHBondContact O-CB 3.39Å; R147-L151 PolarHBondContact O-N 2.91Å; C148-L151 PolarHBondContact O-N 3.41Å; F149-L151 VanDerWaalsContact C-N 3.31Å; F149-L151 PolarHBondContact O-N 3.28Å; L151-F153 VanDerWaalsContact C-N 3.31Å; L151-F153 PolarHBondContact O-N 3.29Å; L151-R154 PolarHBondContact O-N 3.29Å; L151-L155 HydrophobicContact CD1-CD1 4.06Å; L151-L155 HydrophobicContact CD1-CG 4.14Å; L151-L155 HydrophobicContact CG-CD1 3.97Å; L151-L155 HydrophobicContact CG-CG 4.48Å; L151-L155 VanDerWaalsContact O-CG 3.29Å; L151-L155 WeakPolarHBondContact O-CG 3.4Å; L151-L155 PolarHBondContact O-N 3.07Å |
| 152 | I | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58 | -46 | 175.4 | -65.5 | 166.5 | 0 | 0 | 0 | 110.3 | L85 L87 I92 L115 I128 C148 F149 R154 L155 W156 | L85-I152 HydrophobicContact CD2-CD1 3.88Å; L87-I152 HydrophobicContact CD1-CD1 4.39Å; L87-I152 HydrophobicContact CD1-CG1 3.55Å; L87-I152 HydrophobicContact CD2-CD1 4.21Å; L87-I152 HydrophobicContact CD2-CG1 3.73Å; L87-I152 HydrophobicContact CG-CG1 4.32Å; I92-I152 HydrophobicContact CD1-CG2 3.55Å; L115-I152 HydrophobicContact CD1-CG2 3.71Å; L115-I152 HydrophobicContact CD2-CG2 3.65Å; L115-I152 HydrophobicContact CG-CG2 4.33Å; I128-I152 HydrophobicContact CD1-CD1 4.46Å; C148-I152 VanDerWaalsContact O-CG1 3.28Å; C148-I152 WeakPolarHBondContact O-CG1 3.33Å; C148-I152 PolarHBondContact O-N 3.04Å; C148-I152 VanDerWaalsContact SG-CD1 3.59Å; F149-I152 PolarHBondContact O-N 3.44Å; I152-R154 PolarHBondContact O-N 3.33Å; I152-L155 PolarHBondContact O-N 3.48Å; I152-W156 VanDerWaalsContact O-CB 3.31Å; I152-W156 WeakPolarHBondContact O-CB 3.48Å; I152-W156 PolarHBondContact O-N 3.49Å |
| 153 | F | 93.9 | Very high | 90.7 | Very high | 83 Ų | 83 | 74.7 Ų | 74.7 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 177.1 | -177.8 | -95.3 | 0 | 0 | 0 | 112 | F149 L151 W156 Q157 | F149-F153 HydrophobicContact CE1-CB 4.49Å; F149-F153 VanDerWaalsContact O-CB 3.23Å; F149-F153 WeakPolarHBondContact O-CB 3.43Å; F149-F153 PolarHBondContact O-N 3.26Å; L151-F153 VanDerWaalsContact C-N 3.31Å; L151-F153 PolarHBondContact O-N 3.29Å; F153-W156 AromaticContact CD2-CE3 3.78Å; F153-W156 HydrophobicContact CD2-CE3 3.78Å; F153-W156 HydrophobicContact CD2-CZ3 4.04Å; F153-W156 AromaticContact CE2-CE3 3.95Å; F153-W156 HydrophobicContact CE2-CE3 3.95Å; F153-W156 AromaticContact CE2-CZ3 3.88Å; F153-W156 HydrophobicContact CE2-CZ3 3.88Å; F153-W156 PolarHBondContact O-N 2.99Å; F153-Q157 HydrophobicContact CD1-CG 4.21Å; F153-Q157 HydrophobicContact CE1-CG 3.78Å; F153-Q157 HydrophobicContact CE2-CG 4.24Å; F153-Q157 HydrophobicContact CZ-CG 3.79Å; F153-Q157 VanDerWaalsContact O-CG 3.3Å; F153-Q157 WeakPolarHBondContact O-CG 3.38Å; F153-Q157 PolarHBondContact O-N 3.13Å |
| 154 | R | 93.6 | Very high | 91 | Very high | 186 Ų | 186 | 74.2 Ų | 74.2 | 70% | 0.702 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | 175.8 | -179.5 | 178.6 | 176.7 | 177.4 | -0.2 | 112.2 | L150 L151 I152 N158 | L150-R154 WeakPolarHBondContact O-CB 3.49Å; L150-R154 PolarHBondContact O-N 3.25Å; L151-R154 PolarHBondContact O-N 3.29Å; I152-R154 PolarHBondContact O-N 3.33Å; R154-N158 WeakPolarHBondContact O-CB 3.44Å; R154-N158 PolarHBondContact O-N 3.32Å |
| 155 | L | 94.1 | Very high | 91.3 | Very high | 20 Ų | 20 | 76.3 Ų | 76.3 | 11% | 0.105 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 179 | -64.9 | 168.1 | 0 | 0 | 0 | 111.1 | I68 L87 L109 L151 I152 N158 A159 | I68-L155 HydrophobicContact CD1-CD1 3.94Å; I68-L155 HydrophobicContact CD1-CD2 3.4Å; I68-L155 VanDerWaalsContact CD1-CD2 3.4Å; I68-L155 HydrophobicContact CD1-CG 4.33Å; L87-L155 HydrophobicContact CB-CD1 4.13Å; L87-L155 HydrophobicContact CD1-CD1 4.39Å; L109-L155 HydrophobicContact CD1-CB 3.65Å; L109-L155 HydrophobicContact CD2-CB 4.41Å; L151-L155 HydrophobicContact CD1-CD1 4.06Å; L151-L155 HydrophobicContact CD1-CG 4.14Å; L151-L155 HydrophobicContact CG-CD1 3.97Å; L151-L155 HydrophobicContact CG-CG 4.48Å; L151-L155 VanDerWaalsContact O-CG 3.29Å; L151-L155 WeakPolarHBondContact O-CG 3.4Å; L151-L155 PolarHBondContact O-N 3.07Å; I152-L155 PolarHBondContact O-N 3.48Å; L155-N158 WeakPolarHBondContact O-CB 3.42Å; L155-N158 PolarHBondContact O-N 3.24Å; L155-A159 PolarHBondContact O-N 2.96Å |
| 156 | W | 93.7 | Very high | 91.4 | Very high | 35 Ų | 35 | 77.9 Ų | 77.9 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.3 | -51 | 174.5 | 179.2 | 41.5 | 0 | 0 | 0 | 112.1 | L109 V112 L115 I152 F153 N158 A159 L160 | L109-W156 HydrophobicContact CD2-CB 4.09Å; V112-W156 HydrophobicContact CG1-CD2 4.35Å; V112-W156 HydrophobicContact CG1-CG 4.47Å; V112-W156 HydrophobicContact CG1-CZ2 4.36Å; V112-W156 VanDerWaalsContact O-CE2 3.31Å; V112-W156 WeakPolarHBondContact O-CZ2 3.33Å; V112-W156 PolarHBondContact O-NE1 3.5Å; L115-W156 HydrophobicContact CB-CE3 4.43Å; L115-W156 HydrophobicContact CB-CZ3 4.34Å; L115-W156 HydrophobicContact CD1-CB 4.01Å; L115-W156 HydrophobicContact CD1-CD2 3.8Å; L115-W156 HydrophobicContact CD1-CE3 3.63Å; L115-W156 HydrophobicContact CD1-CG 4Å; L115-W156 HydrophobicContact CD1-CZ3 4.32Å; I152-W156 VanDerWaalsContact O-CB 3.31Å; I152-W156 WeakPolarHBondContact O-CB 3.48Å; I152-W156 PolarHBondContact O-N 3.49Å; F153-W156 AromaticContact CD2-CE3 3.78Å; F153-W156 HydrophobicContact CD2-CE3 3.78Å; F153-W156 HydrophobicContact CD2-CZ3 4.04Å; F153-W156 AromaticContact CE2-CE3 3.95Å; F153-W156 HydrophobicContact CE2-CE3 3.95Å; F153-W156 AromaticContact CE2-CZ3 3.88Å; F153-W156 HydrophobicContact CE2-CZ3 3.88Å; F153-W156 PolarHBondContact O-N 2.99Å; W156-N158 VanDerWaalsContact C-N 3.29Å; W156-N158 PolarHBondContact O-N 3.14Å; W156-A159 PolarHBondContact O-N 3.02Å; W156-A159 VanDerWaalsContact O-N 3.14Å; W156-L160 HydrophobicContact CD2-CD1 4.48Å; W156-L160 HydrophobicContact CZ2-CD1 4.45Å; W156-L160 WeakPolarHBondContact O-CG 3.47Å; W156-L160 PolarHBondContact O-N 3Å |
| 157 | Q | 93.4 | Very high | 91.4 | Very high | 86 Ų | 86 | 78.6 Ų | 78.6 | 40% | 0.402 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 176.5 | -63.6 | -66.3 | -90 | 0 | 0 | 112 | F153 A159 L160 | F153-Q157 HydrophobicContact CD1-CG 4.21Å; F153-Q157 HydrophobicContact CE1-CG 3.78Å; F153-Q157 HydrophobicContact CE2-CG 4.24Å; F153-Q157 HydrophobicContact CZ-CG 3.79Å; F153-Q157 VanDerWaalsContact O-CG 3.3Å; F153-Q157 WeakPolarHBondContact O-CG 3.38Å; F153-Q157 PolarHBondContact O-N 3.13Å; Q157-A159 VanDerWaalsContact C-N 3.31Å; Q157-A159 PolarHBondContact O-N 2.87Å; Q157-L160 PolarHBondContact O-N 3.14Å |
| 158 | N | 91.3 | Very high | 91.5 | Very high | 105 Ų | 105 | 70.5 Ų | 70.5 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.1 | -28.8 | 175.5 | -166.7 | 103.1 | 0 | 0 | 0 | 113.3 | R154 L155 W156 L160 | R154-N158 WeakPolarHBondContact O-CB 3.44Å; R154-N158 PolarHBondContact O-N 3.32Å; L155-N158 WeakPolarHBondContact O-CB 3.42Å; L155-N158 PolarHBondContact O-N 3.24Å; W156-N158 VanDerWaalsContact C-N 3.29Å; W156-N158 PolarHBondContact O-N 3.14Å; N158-L160 VanDerWaalsContact C-N 3.32Å |
| 159 | A | 88.4 | Confident | 91.4 | Very high | 4 Ų | 4 | 75.9 Ų | 75.9 | 3% | 0.033 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -81.2 | -11.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L109 K110 L155 W156 Q157 | L109-A159 HydrophobicContact CB-CB 3.65Å; L109-A159 HydrophobicContact CD1-CB 4.47Å; K110-A159 WeakPolarHBondContact CE-O 3.14Å; K110-A159 HydrophobicContact CG-CB 4.16Å; K110-A159 PolarHBondContact NZ-O 3.31Å; L155-A159 PolarHBondContact O-N 2.96Å; W156-A159 PolarHBondContact O-N 3.02Å; W156-A159 VanDerWaalsContact O-N 3.14Å; Q157-A159 VanDerWaalsContact C-N 3.31Å; Q157-A159 PolarHBondContact O-N 2.87Å |
| 160 | L | 86.9 | Confident | 91.2 | Very high | 97 Ų | 97 | 80.4 Ų | 80.4 | 51% | 0.508 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -0.2 | 178.1 | -65.2 | 176.2 | 0 | 0 | 0 | 113.7 | W156 Q157 N158 | W156-L160 HydrophobicContact CD2-CD1 4.48Å; W156-L160 HydrophobicContact CZ2-CD1 4.45Å; W156-L160 WeakPolarHBondContact O-CG 3.47Å; W156-L160 PolarHBondContact O-N 3Å; Q157-L160 PolarHBondContact O-N 3.14Å; N158-L160 VanDerWaalsContact C-N 3.32Å |
| 161 | L | 77.8 | Confident | 91 | Very high | 196 Ų | 196 | 77.7 Ų | 77.7 | 100% | 1.026 | 37% | 0.369 | S | S | * | . | trans | -95.2 | 0 | 171.8 | -65.4 | 172.4 | 0 | 0 | 0 | 111.2 |
Retrieved 161 of 161 residues in 338.2 ms
(Link to these results)