| 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 | L | 33.5 | Very low | 34.6 | Very low | 230 Ų | 230 | 167.9 Ų | 167.9 | 100% | 1.204 | 88% | 0.88 | S | S | * | * | 0 | 105.8 | 0 | -88.6 | 144.9 | 0 | 0 | 0 | 107.8 | |||||
| 2 | F | 37.4 | Very low | 34.7 | Very low | 200 Ų | 200 | 160.5 Ų | 160.5 | 88% | 0.877 | 88% | 0.875 | S | S | * | * | trans | -63.5 | 135.4 | 166.9 | -104.6 | -98.6 | 0 | 0 | 0 | 108.6 | ||||
| 3 | C | 30.1 | Very low | 34.4 | Very low | 128 Ų | 128 | 153.5 Ų | 153.5 | 87% | 0.865 | 86% | 0.862 | S | S | * | * | trans | -161 | 129.7 | 132.8 | -133.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 4 | C | 40.9 | Very low | 34.9 | Very low | 98 Ų | 98 | 151.4 Ų | 151.4 | 66% | 0.662 | 86% | 0.861 | S | S | * | * | trans | -60.3 | 159.6 | 174.8 | -50.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 5 | L | 35.1 | Very low | 34.9 | Very low | 184 Ų | 184 | 153.9 Ų | 153.9 | 96% | 0.963 | 86% | 0.858 | S | S | * | * | 171.6 | 141.4 | 127.8 | -90.7 | 158.7 | 0 | 0 | 0 | 110.1 | |||||
| 6 | G | 30 | Very low | 35.4 | Very low | 71 Ų | 71 | 149.8 Ų | 149.8 | 73% | 0.732 | 84% | 0.838 | S | S | * | * | trans | 119 | 73.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 7 | Y | 34.8 | Very low | 35.6 | Very low | 223 Ų | 223 | 155.1 Ų | 155.1 | 88% | 0.875 | 84% | 0.842 | S | S | * | * | trans | -65 | 125.4 | 143.5 | -104 | -99.3 | 0 | 0 | 0 | 107.5 | ||||
| 8 | E | 33.3 | Very low | 36 | Very low | 192 Ų | 192 | 154.4 Ų | 154.4 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | trans | -162.2 | 113.3 | 146.1 | -113.9 | 171.2 | -173.3 | 0 | 0 | 110.1 | ||||
| 9 | W | 38.8 | Very low | 36.5 | Very low | 231 Ų | 231 | 150.3 Ų | 150.3 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | -69.5 | 128.9 | 158.9 | -88.9 | 70.6 | 0 | 0 | 0 | 108 | ||||
| 10 | L | 33.9 | Very low | 37.1 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | 155.9 | 104.3 | 141.3 | -86.6 | 158.1 | 0 | 0 | 0 | 109.1 | ||||
| 11 | S | 32.6 | Very low | 37.1 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -169.2 | 119.9 | 133.3 | -160.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 12 | G | 35.8 | Very low | 37.7 | Very low | 79 Ų | 79 | 141 Ų | 141 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | trans | -61.3 | 145.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 13 | G | 31.4 | Very low | 38.2 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | 143.6 | 94.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 14 | C | 41.7 | Very low | 38.9 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | 45 | 93.4 | 143.1 | -150.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 15 | K | 34.5 | Very low | 39 | Very low | 189 Ų | 189 | 134.4 Ų | 134.4 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | trans | -137.3 | 92.6 | 152.1 | -74.2 | -172.8 | -179.6 | 165.6 | 0 | 108.7 | ||||
| 16 | T | 42 | Very low | 39.3 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 53% | 0.534 | 71% | 0.709 | S | S | . | * | 95 | 103.5 | 94.1 | 56.6 | 0 | 0 | 0 | 0 | 110.3 | H18 | T16-H18 PolarHBondContact O-N 3.35Š| |||
| 17 | W | 39.3 | Very low | 40 | Very low | 241 Ų | 241 | 131.3 Ų | 131.3 | 91% | 0.913 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -0 | 169.6 | -75.2 | 76.7 | 0 | 0 | 0 | 115.4 | ||
| 18 | H | 43.7 | Very low | 40.4 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 66% | 0.662 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -76.9 | -25.1 | -178.5 | -106.5 | -81.3 | 0 | 0 | 0 | 114.5 | T16 | T16-H18 PolarHBondContact O-N 3.35Å |
| 19 | S | 45.1 | Very low | 40.9 | Very low | 75 Ų | 75 | 124.8 Ų | 124.8 | 52% | 0.524 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -79.4 | -24.7 | -179.2 | 47.3 | 0 | 0 | 0 | 0 | 113.6 | I23 | S19-I23 WeakPolarHBondContact O-CD1 3.21Å; S19-I23 WeakPolarHBondContact O-CG1 3.4Å; S19-I23 PolarHBondContact O-N 3.04Å |
| 20 | A | 47.3 | Very low | 41.2 | Very low | 55 Ų | 55 | 121.8 Ų | 121.8 | 46% | 0.455 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -74.6 | -33.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N24 | A20-N24 PolarHBondContact O-N 3.37Å; A20-N24 VanDerWaalsContact O-N 3.14Å |
| 21 | W | 37.2 | Very low | 41.7 | Very low | 187 Ų | 187 | 122 Ų | 122 | 71% | 0.708 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.6 | -40.6 | 178.7 | -154.7 | 62.2 | 0 | 0 | 0 | 111.4 | I23 N24 T25 | W21-I23 PolarHBondContact O-N 3.1Å; W21-N24 PolarHBondContact O-N 3.46Å; W21-T25 WeakPolarHBondContact O-CB 3.5Å; W21-T25 PolarHBondContact O-N 3.23Å; W21-T25 PolarHBondContact O-OG1 3.07Å |
| 22 | V | 47.3 | Very low | 42.2 | Very low | 94 Ų | 94 | 128 Ų | 128 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -65.5 | -37.1 | 178 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | L26 | V22-L26 WeakPolarHBondContact O-CB 2.92Å; V22-L26 PolarHBondContact O-N 3.49Å; V22-L26 VanDerWaalsContact O-N 3.15Å |
| 23 | I | 47.9 | Very low | 42.5 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 61% | 0.605 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -72 | -39.4 | 178.5 | -62.9 | 169.3 | 0 | 0 | 0 | 111.3 | S19 W21 L26 A27 | S19-I23 WeakPolarHBondContact O-CD1 3.21Å; S19-I23 WeakPolarHBondContact O-CG1 3.4Å; S19-I23 PolarHBondContact O-N 3.04Å; W21-I23 PolarHBondContact O-N 3.1Å; I23-L26 PolarHBondContact O-N 2.83Å; I23-A27 PolarHBondContact O-N 3.33Å; I23-A27 VanDerWaalsContact O-N 3.09Å |
| 24 | N | 43.7 | Very low | 43 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -72 | -33.7 | 176.2 | -84.7 | -21 | 0 | 0 | 0 | 112.8 | A20 W21 L26 A27 D28 | A20-N24 PolarHBondContact O-N 3.37Å; A20-N24 VanDerWaalsContact O-N 3.14Å; W21-N24 PolarHBondContact O-N 3.46Å; N24-L26 VanDerWaalsContact C-N 3.3Å; N24-L26 PolarHBondContact O-N 3.33Å; N24-A27 PolarHBondContact O-N 2.93Å; N24-D28 WeakPolarHBondContact O-CB 3.06Å; N24-D28 PolarHBondContact O-N 3.36Å |
| 25 | T | 43.2 | Very low | 43.5 | Very low | 55 Ų | 55 | 131.7 Ų | 131.7 | 34% | 0.337 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -70.2 | -30 | 176.5 | -37.8 | 0 | 0 | 0 | 0 | 111.5 | W21 H29 | W21-T25 WeakPolarHBondContact O-CB 3.5Å; W21-T25 PolarHBondContact O-N 3.23Å; W21-T25 PolarHBondContact O-OG1 3.07Å; T25-H29 PolarHBondContact O-ND1 2.9Å |
| 26 | L | 41.6 | Very low | 44 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 65% | 0.654 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -76.2 | -33.8 | 175.1 | -166.7 | 70.5 | 0 | 0 | 0 | 112.7 | V22 I23 N24 | V22-L26 WeakPolarHBondContact O-CB 2.92Å; V22-L26 PolarHBondContact O-N 3.49Å; V22-L26 VanDerWaalsContact O-N 3.15Å; I23-L26 PolarHBondContact O-N 2.83Å; N24-L26 VanDerWaalsContact C-N 3.3Å; N24-L26 PolarHBondContact O-N 3.33Å |
| 27 | A | 45.5 | Very low | 44.3 | Very low | 65 Ų | 65 | 131.7 Ų | 131.7 | 54% | 0.537 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -72.1 | -32.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | I23 N24 H29 | I23-A27 PolarHBondContact O-N 3.33Å; I23-A27 VanDerWaalsContact O-N 3.09Å; N24-A27 PolarHBondContact O-N 2.93Å; A27-H29 VanDerWaalsContact C-N 3.33Å; A27-H29 PolarHBondContact O-N 2.81Å |
| 28 | D | 42.3 | Very low | 44.4 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 69% | 0.69 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -80.5 | -13.1 | -177 | -149 | 41.3 | 0 | 0 | 0 | 113.4 | N24 | N24-D28 WeakPolarHBondContact O-CB 3.06Å; N24-D28 PolarHBondContact O-N 3.36Å |
| 29 | H | 44.2 | Very low | 45 | Very low | 148 Ų | 148 | 120.3 Ų | 120.3 | 69% | 0.685 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -3.1 | 175.9 | -80.3 | 31.7 | 0 | 0 | 0 | 114.5 | T25 A27 H31 | T25-H29 PolarHBondContact O-ND1 2.9Å; A27-H29 VanDerWaalsContact C-N 3.33Å; A27-H29 PolarHBondContact O-N 2.81Å; H29-H31 VanDerWaalsContact C-N 3.27Å; H29-H31 PolarHBondContact O-N 2.61Å |
| 30 | H | 44.8 | Very low | 45.6 | Very low | 168 Ų | 168 | 121.3 Ų | 121.3 | 78% | 0.778 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 5 | 173.9 | -94.3 | -74.5 | 0 | 0 | 0 | 114.1 | ||
| 31 | H | 45.4 | Very low | 45.8 | Very low | 175 Ų | 175 | 127.8 Ų | 127.8 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -120.8 | 43.2 | -174.5 | -113 | -50.2 | 0 | 0 | 0 | 114.9 | H29 | H29-H31 VanDerWaalsContact C-N 3.27Å; H29-H31 PolarHBondContact O-N 2.61Å |
| 32 | R | 42.3 | Very low | 46.9 | Very low | 246 Ų | 246 | 123.9 Ų | 123.9 | 93% | 0.928 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -150.2 | 104.8 | 166.5 | -115 | 170.8 | 173.4 | -176.1 | -2.6 | 114 | ||
| 33 | G | 41.9 | Very low | 47.5 | Very low | 60 Ų | 60 | 126.1 Ų | 126.1 | 62% | 0.619 | 68% | 0.677 | S | S | * | * | trans | 82.2 | 87.6 | 145.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 34 | T | 43.2 | Very low | 48.1 | Very low | 145 Ų | 145 | 124.5 Ų | 124.5 | 89% | 0.89 | 67% | 0.673 | S | S | * | * | trans | -126.7 | 70.9 | 135.1 | 51.4 | 0 | 0 | 0 | 0 | 109 | F36 | T34-F36 PolarHBondContact O-N 3.4Š| ||
| 35 | D | 51.3 | Low | 48.9 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 78% | 0.775 | 67% | 0.666 | S | S | * | * | trans | -67.8 | 78.5 | 160.3 | -66.7 | -55.5 | 0 | 0 | 0 | 109.4 | ||||
| 36 | F | 44.9 | Very low | 49.8 | Very low | 220 Ų | 220 | 126.2 Ų | 126.2 | 97% | 0.965 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -160.2 | 37.8 | 162.5 | -96.7 | -65.6 | 0 | 0 | 0 | 113 | T34 | T34-F36 PolarHBondContact O-N 3.4Š|
| 37 | G | 48.3 | Very low | 50.5 | Low | 57 Ų | 57 | 122.6 Ų | 122.6 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | trans | -166.2 | 22.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 38 | G | 41.3 | Very low | 51 | Low | 56 Ų | 56 | 126.7 Ų | 126.7 | 58% | 0.577 | 67% | 0.672 | S | S | * | * | trans | -58.9 | 156 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | P40 | G38-P40 WeakPolarHBondContact O-CD 3.33Š| ||
| 39 | S | 56.6 | Low | 51.9 | Low | 89 Ų | 89 | 122.8 Ų | 122.8 | 62% | 0.622 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.1 | -16.2 | -166.5 | -61.5 | 0 | 0 | 0 | 0 | 121.4 | H43 | S39-H43 PolarHBondContact O-CD2 3.44Š|
| 40 | P | 56.5 | Low | 52.6 | Low | 96 Ų | 96 | 119.8 Ų | 119.8 | 62% | 0.623 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.1 | -37.2 | 178.5 | -26.5 | 36.9 | 0 | 0 | 0 | 115.3 | G38 H43 V44 | G38-P40 WeakPolarHBondContact O-CD 3.33Å; P40-H43 WeakPolarHBondContact O-CB 3.36Å; P40-H43 PolarHBondContact O-N 3.09Å; P40-V44 WeakPolarHBondContact O-CG2 3.36Å; P40-V44 PolarHBondContact O-N 3.46Å |
| 41 | W | 52.5 | Low | 53.7 | Low | 191 Ų | 191 | 115.1 Ų | 115.1 | 72% | 0.723 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.3 | -34.1 | -173.9 | -105.2 | 81.5 | 0 | 0 | 0 | 113.2 | V44 I45 | W41-V44 PolarHBondContact O-N 3.15Å; W41-I45 HydrophobicContact CE3-CD1 3.92Å; W41-I45 HydrophobicContact CE3-CG1 4.17Å; W41-I45 WeakPolarHBondContact O-CB 3.47Å; W41-I45 WeakPolarHBondContact O-CD1 2.98Å; W41-I45 WeakPolarHBondContact O-CG1 3.46Å; W41-I45 PolarHBondContact O-N 3.39Å |
| 42 | L | 59.3 | Low | 54.9 | Low | 104 Ų | 104 | 110.5 Ų | 110.5 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.3 | -38.3 | 173.2 | -73.1 | 171 | 0 | 0 | 0 | 111.7 | V44 I45 I46 | L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 PolarHBondContact O-N 3.47Å; L42-I45 PolarHBondContact O-N 3.02Å; L42-I46 WeakPolarHBondContact O-CB 3.3Å; L42-I46 VanDerWaalsContact O-CG1 3.26Å; L42-I46 WeakPolarHBondContact O-CG1 3.41Å; L42-I46 PolarHBondContact O-N 3.46Å |
| 43 | H | 60.1 | Low | 56.5 | Low | 141 Ų | 141 | 105.1 Ų | 105.1 | 65% | 0.653 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.3 | -41.3 | 171.5 | -90 | -84.6 | 0 | 0 | 0 | 111.6 | S39 P40 I46 A47 | S39-H43 PolarHBondContact O-CD2 3.44Å; P40-H43 WeakPolarHBondContact O-CB 3.36Å; P40-H43 PolarHBondContact O-N 3.09Å; H43-I46 PolarHBondContact O-N 3.05Å; H43-A47 WeakPolarHBondContact O-CB 3.46Å; H43-A47 PolarHBondContact O-N 3.44Å |
| 44 | V | 60.9 | Low | 58 | Low | 84 Ų | 84 | 106 Ų | 106 | 51% | 0.509 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.4 | -44.8 | 174.8 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | P40 W41 L42 I46 F48 | P40-V44 WeakPolarHBondContact O-CG2 3.36Å; P40-V44 PolarHBondContact O-N 3.46Å; W41-V44 PolarHBondContact O-N 3.15Å; L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 PolarHBondContact O-N 3.47Å; V44-I46 VanDerWaalsContact C-N 3.31Å; V44-I46 PolarHBondContact O-N 3.48Å; V44-F48 WeakPolarHBondContact O-CB 3.26Å; V44-F48 PolarHBondContact O-N 3.03Å |
| 45 | I | 61.7 | Low | 59.8 | Low | 94 Ų | 94 | 103.7 Ų | 103.7 | 48% | 0.482 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66 | -28.5 | 179.3 | -67.3 | 162.1 | 0 | 0 | 0 | 112.4 | W41 L42 P49 | W41-I45 HydrophobicContact CE3-CD1 3.92Å; W41-I45 HydrophobicContact CE3-CG1 4.17Å; W41-I45 WeakPolarHBondContact O-CB 3.47Å; W41-I45 WeakPolarHBondContact O-CD1 2.98Å; W41-I45 WeakPolarHBondContact O-CG1 3.46Å; W41-I45 PolarHBondContact O-N 3.39Å; L42-I45 PolarHBondContact O-N 3.02Å; I45-P49 WeakPolarHBondContact O-CD 2.79Å; I45-P49 WeakPolarHBondContact O-CG 3.38Å |
| 46 | I | 60.8 | Low | 61.3 | Low | 113 Ų | 113 | 100.9 Ų | 100.9 | 58% | 0.579 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -91.3 | -37.4 | 178 | -64.2 | 166.8 | 0 | 0 | 0 | 111.9 | L42 H43 V44 P49 T50 | L42-I46 WeakPolarHBondContact O-CB 3.3Å; L42-I46 VanDerWaalsContact O-CG1 3.26Å; L42-I46 WeakPolarHBondContact O-CG1 3.41Å; L42-I46 PolarHBondContact O-N 3.46Å; H43-I46 PolarHBondContact O-N 3.05Å; V44-I46 VanDerWaalsContact C-N 3.31Å; V44-I46 PolarHBondContact O-N 3.48Å; I46-P49 WeakPolarHBondContact O-CD 3.02Å; I46-T50 PolarHBondContact O-OG1 3.11Å; I46-T50 VanDerWaalsContact O-OG1 3.06Å |
| 47 | A | 57.3 | Low | 62.9 | Low | 48 Ų | 48 | 94.3 Ų | 94.3 | 40% | 0.397 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.7 | -39.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | H43 T50 S51 | H43-A47 WeakPolarHBondContact O-CB 3.46Å; H43-A47 PolarHBondContact O-N 3.44Å; A47-T50 PolarHBondContact O-N 3.48Å; A47-T50 VanDerWaalsContact O-N 3.07Å; A47-S51 WeakPolarHBondContact O-CB 3.19Å; A47-S51 PolarHBondContact O-N 3.37Å; A47-S51 PolarHBondContact O-OG 2.92Å; A47-S51 VanDerWaalsContact O-OG 3.11Å |
| 48 | F | 55.7 | Low | 64.6 | Low | 152 Ų | 152 | 96.9 Ų | 96.9 | 67% | 0.667 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.8 | -39.5 | -179.8 | -168.8 | -93 | 0 | 0 | 0 | 112.9 | V44 T50 H52 | V44-F48 WeakPolarHBondContact O-CB 3.26Å; V44-F48 PolarHBondContact O-N 3.03Å; F48-T50 VanDerWaalsContact C-N 3.34Å; F48-T50 PolarHBondContact O-N 3.12Å; F48-H52 PolarHBondContact O-N 2.82Å; F48-H52 VanDerWaalsContact O-N 3.1Å; F48-H52 PolarHBondContact O-ND1 3.1Å |
| 49 | P | 60 | Low | 66.6 | Low | 47 Ų | 47 | 102.3 Ų | 102.3 | 31% | 0.305 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -56.8 | -42.2 | 168.9 | -32.1 | 35.9 | 0 | 0 | 0 | 115.5 | I45 I46 H52 K53 | I45-P49 WeakPolarHBondContact O-CD 2.79Å; I45-P49 WeakPolarHBondContact O-CG 3.38Å; I46-P49 WeakPolarHBondContact O-CD 3.02Å; P49-H52 WeakPolarHBondContact CA-CE1 3.18Å; P49-H52 WeakPolarHBondContact CA-ND1 3.26Å; P49-H52 PolarHBondContact O-CE1 2.87Å; P49-H52 PolarHBondContact O-ND1 3.11Å; P49-H52 VanDerWaalsContact O-ND1 3.12Å; P49-H52 PolarHBondContact O-NE2 2.66Å; P49-K53 WeakPolarHBondContact O-CG 3.42Å; P49-K53 PolarHBondContact O-N 3.06Å |
| 50 | T | 59.6 | Low | 68.2 | Low | 85 Ų | 85 | 101.8 Ų | 101.8 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76.3 | -42.7 | -174.1 | -51.7 | 0 | 0 | 0 | 0 | 109.7 | I46 A47 F48 K53 V54 | I46-T50 PolarHBondContact O-OG1 3.11Å; I46-T50 VanDerWaalsContact O-OG1 3.06Å; A47-T50 PolarHBondContact O-N 3.48Å; A47-T50 VanDerWaalsContact O-N 3.07Å; F48-T50 VanDerWaalsContact C-N 3.34Å; F48-T50 PolarHBondContact O-N 3.12Å; T50-K53 PolarHBondContact O-N 2.97Å; T50-V54 WeakPolarHBondContact O-CG2 3.14Å; T50-V54 PolarHBondContact O-N 2.93Å; T50-V54 VanDerWaalsContact O-N 3.15Å |
| 51 | S | 67.4 | Low | 69.7 | Low | 70 Ų | 70 | 101.1 Ų | 101.1 | 49% | 0.49 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 177.5 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | A47 K53 V54 V55 | A47-S51 WeakPolarHBondContact O-CB 3.19Å; A47-S51 PolarHBondContact O-N 3.37Å; A47-S51 PolarHBondContact O-OG 2.92Å; A47-S51 VanDerWaalsContact O-OG 3.11Å; S51-K53 VanDerWaalsContact C-N 3.33Å; S51-K53 PolarHBondContact O-N 3.41Å; S51-V54 PolarHBondContact O-N 3.44Å; S51-V55 WeakPolarHBondContact O-CG2 3.23Å; S51-V55 PolarHBondContact O-N 2.85Å |
| 52 | H | 71.1 | Confident | 71.3 | Confident | 77 Ų | 77 | 99.8 Ų | 99.8 | 36% | 0.356 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 179.2 | 76.3 | -109.8 | 0 | 0 | 0 | 112.2 | F48 P49 V54 V55 I56 | F48-H52 PolarHBondContact O-N 2.82Å; F48-H52 VanDerWaalsContact O-N 3.1Å; F48-H52 PolarHBondContact O-ND1 3.1Å; P49-H52 WeakPolarHBondContact CA-CE1 3.18Å; P49-H52 WeakPolarHBondContact CA-ND1 3.26Å; P49-H52 PolarHBondContact O-CE1 2.87Å; P49-H52 PolarHBondContact O-ND1 3.11Å; P49-H52 VanDerWaalsContact O-ND1 3.12Å; P49-H52 PolarHBondContact O-NE2 2.66Å; H52-V54 VanDerWaalsContact C-N 3.29Å; H52-V54 PolarHBondContact O-N 3.46Å; H52-V55 PolarHBondContact O-N 3.07Å; H52-I56 WeakPolarHBondContact O-CB 3.32Å; H52-I56 WeakPolarHBondContact O-CG1 3.48Å; H52-I56 PolarHBondContact O-N 3.38Å |
| 53 | K | 75.4 | Confident | 72.7 | Confident | 134 Ų | 134 | 99.5 Ų | 99.5 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63 | -40.2 | 175.8 | -76.1 | 179.1 | -180 | 175.7 | 0 | 111 | P49 T50 S51 T57 | P49-K53 WeakPolarHBondContact O-CG 3.42Å; P49-K53 PolarHBondContact O-N 3.06Å; T50-K53 PolarHBondContact O-N 2.97Å; S51-K53 VanDerWaalsContact C-N 3.33Å; S51-K53 PolarHBondContact O-N 3.41Å; K53-T57 VanDerWaalsContact O-CB 3.26Å; K53-T57 WeakPolarHBondContact O-CB 3.34Å; K53-T57 PolarHBondContact O-N 3.41Å; K53-T57 PolarHBondContact O-OG1 3.34Å |
| 54 | V | 74.9 | Confident | 73.9 | Confident | 79 Ų | 79 | 100.7 Ų | 100.7 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -47.6 | 175.8 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | T50 S51 H52 I56 T57 L58 | T50-V54 WeakPolarHBondContact O-CG2 3.14Å; T50-V54 PolarHBondContact O-N 2.93Å; T50-V54 VanDerWaalsContact O-N 3.15Å; S51-V54 PolarHBondContact O-N 3.44Å; H52-V54 VanDerWaalsContact C-N 3.29Å; H52-V54 PolarHBondContact O-N 3.46Å; V54-I56 PolarHBondContact O-N 3.46Å; V54-T57 PolarHBondContact O-N 2.92Å; V54-L58 HydrophobicContact CG1-CD1 3.83Å; V54-L58 HydrophobicContact CG1-CG 4.34Å; V54-L58 WeakPolarHBondContact O-CB 3.33Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.29Å; V54-L58 PolarHBondContact O-N 3.37Å |
| 55 | V | 79.5 | Confident | 75 | Confident | 95 Ų | 95 | 100.9 Ų | 100.9 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -45.2 | 179.2 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | S51 H52 T57 L58 W59 | S51-V55 WeakPolarHBondContact O-CG2 3.23Å; S51-V55 PolarHBondContact O-N 2.85Å; H52-V55 PolarHBondContact O-N 3.07Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 3.5Å; V55-L58 PolarHBondContact O-N 2.88Å; V55-W59 WeakPolarHBondContact O-CB 3.42Å; V55-W59 PolarHBondContact O-N 3.15Å |
| 56 | I | 83.3 | Confident | 76 | Confident | 86 Ų | 86 | 98.5 Ų | 98.5 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.8 | -68.4 | 168.5 | 0 | 0 | 0 | 110.3 | H52 V54 W59 I60 | H52-I56 WeakPolarHBondContact O-CB 3.32Å; H52-I56 WeakPolarHBondContact O-CG1 3.48Å; H52-I56 PolarHBondContact O-N 3.38Å; V54-I56 PolarHBondContact O-N 3.46Å; I56-W59 PolarHBondContact O-N 3.26Å; I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.41Å; I56-I60 WeakPolarHBondContact O-CB 3.49Å; I56-I60 VanDerWaalsContact O-CG1 3.23Å; I56-I60 WeakPolarHBondContact O-CG1 3.33Å; I56-I60 PolarHBondContact O-N 3.34Å |
| 57 | T | 79.6 | Confident | 76.9 | Confident | 82 Ų | 82 | 97.7 Ų | 97.7 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 178.5 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | K53 V54 V55 W59 I60 V61 | K53-T57 VanDerWaalsContact O-CB 3.26Å; K53-T57 WeakPolarHBondContact O-CB 3.34Å; K53-T57 PolarHBondContact O-N 3.41Å; K53-T57 PolarHBondContact O-OG1 3.34Å; V54-T57 PolarHBondContact O-N 2.92Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 3.5Å; T57-W59 PolarHBondContact O-N 2.91Å; T57-I60 PolarHBondContact O-N 2.86Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.37Å; T57-V61 PolarHBondContact O-N 3.35Å |
| 58 | L | 82.6 | Confident | 78 | Confident | 112 Ų | 112 | 100.1 Ų | 100.1 | 59% | 0.586 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -42 | 176 | -73.5 | 171.6 | 0 | 0 | 0 | 111.7 | V54 V55 V61 Y62 | V54-L58 HydrophobicContact CG1-CD1 3.83Å; V54-L58 HydrophobicContact CG1-CG 4.34Å; V54-L58 WeakPolarHBondContact O-CB 3.33Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.29Å; V54-L58 PolarHBondContact O-N 3.37Å; V55-L58 PolarHBondContact O-N 2.88Å; L58-V61 PolarHBondContact O-N 2.93Å; L58-Y62 VanDerWaalsContact O-CB 3.26Å; L58-Y62 WeakPolarHBondContact O-CB 3.31Å; L58-Y62 PolarHBondContact O-N 3.48Å |
| 59 | W | 84.8 | Confident | 78.9 | Confident | 169 Ų | 169 | 100.3 Ų | 100.3 | 64% | 0.64 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 176.9 | -174.7 | 61.2 | 0 | 0 | 0 | 112.1 | V55 I56 T57 Y62 L63 | V55-W59 WeakPolarHBondContact O-CB 3.42Å; V55-W59 PolarHBondContact O-N 3.15Å; I56-W59 PolarHBondContact O-N 3.26Å; T57-W59 PolarHBondContact O-N 2.91Å; W59-Y62 PolarHBondContact O-N 3.23Å; W59-L63 WeakPolarHBondContact O-CB 3.29Å; W59-L63 PolarHBondContact O-N 3.49Å |
| 60 | I | 88.4 | Confident | 79.4 | Confident | 79 Ų | 79 | 102.2 Ų | 102.2 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 175.3 | -69.3 | 166.8 | 0 | 0 | 0 | 110.6 | I56 T57 Y62 L63 W64 | I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.41Å; I56-I60 WeakPolarHBondContact O-CB 3.49Å; I56-I60 VanDerWaalsContact O-CG1 3.23Å; I56-I60 WeakPolarHBondContact O-CG1 3.33Å; I56-I60 PolarHBondContact O-N 3.34Å; T57-I60 PolarHBondContact O-N 2.86Å; I60-Y62 VanDerWaalsContact C-N 3.34Å; I60-Y62 PolarHBondContact O-N 2.84Å; I60-L63 PolarHBondContact O-N 3.35Å; I60-W64 WeakPolarHBondContact O-CB 3.26Å; I60-W64 VanDerWaalsContact O-CD1 3.31Å; I60-W64 PolarHBondContact O-N 2.85Å |
| 61 | V | 88.9 | Confident | 80 | Confident | 81 Ų | 81 | 102.5 Ų | 102.5 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | T57 L58 W64 V65 | T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.37Å; T57-V61 PolarHBondContact O-N 3.35Å; L58-V61 PolarHBondContact O-N 2.93Å; V61-W64 PolarHBondContact O-N 2.94Å; V61-V65 HydrophobicContact CG1-CG2 4.35Å; V61-V65 VanDerWaalsContact O-CG2 3.31Å; V61-V65 WeakPolarHBondContact O-CG2 3.46Å; V61-V65 PolarHBondContact O-N 3.36Å |
| 62 | Y | 87.1 | Confident | 79.7 | Confident | 164 Ų | 164 | 104.4 Ų | 104.4 | 64% | 0.643 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -43.5 | 177.4 | -179.6 | -99.5 | 0 | 0 | 0 | 112.4 | L58 W59 I60 V65 S66 | L58-Y62 VanDerWaalsContact O-CB 3.26Å; L58-Y62 WeakPolarHBondContact O-CB 3.31Å; L58-Y62 PolarHBondContact O-N 3.48Å; W59-Y62 PolarHBondContact O-N 3.23Å; I60-Y62 VanDerWaalsContact C-N 3.34Å; I60-Y62 PolarHBondContact O-N 2.84Å; Y62-V65 PolarHBondContact O-N 3.43Å; Y62-S66 VanDerWaalsContact O-CB 3.3Å; Y62-S66 WeakPolarHBondContact O-CB 3.21Å; Y62-S66 PolarHBondContact O-N 3.4Å; Y62-S66 PolarHBondContact O-OG 2.81Å |
| 63 | L | 87.9 | Confident | 78.9 | Confident | 98 Ų | 98 | 111.1 Ų | 111.1 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 176.6 | -169.8 | 71.5 | 0 | 0 | 0 | 111.1 | W59 I60 S66 L67 | W59-L63 WeakPolarHBondContact O-CB 3.29Å; W59-L63 PolarHBondContact O-N 3.49Å; I60-L63 PolarHBondContact O-N 3.35Å; L63-S66 PolarHBondContact O-N 2.89Å; L63-L67 WeakPolarHBondContact O-CB 3.35Å; L63-L67 PolarHBondContact O-N 3.37Å |
| 64 | W | 85.8 | Confident | 77.8 | Confident | 166 Ų | 166 | 108.6 Ų | 108.6 | 63% | 0.629 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | 175.9 | -93.7 | 87.2 | 0 | 0 | 0 | 112.9 | I60 V61 S66 L67 L68 | I60-W64 WeakPolarHBondContact O-CB 3.26Å; I60-W64 VanDerWaalsContact O-CD1 3.31Å; I60-W64 PolarHBondContact O-N 2.85Å; V61-W64 PolarHBondContact O-N 2.94Å; W64-S66 VanDerWaalsContact C-N 3.33Å; W64-L67 PolarHBondContact O-N 3.46Å; W64-L68 HydrophobicContact CE3-CD1 4.46Å; W64-L68 WeakPolarHBondContact O-CB 3.25Å; W64-L68 PolarHBondContact O-N 3.44Å |
| 65 | V | 84.1 | Confident | 76.6 | Confident | 88 Ų | 88 | 112.3 Ų | 112.3 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 177.7 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | V61 Y62 L68 K69 | V61-V65 HydrophobicContact CG1-CG2 4.35Å; V61-V65 VanDerWaalsContact O-CG2 3.31Å; V61-V65 WeakPolarHBondContact O-CG2 3.46Å; V61-V65 PolarHBondContact O-N 3.36Å; Y62-V65 PolarHBondContact O-N 3.43Å; V65-L68 PolarHBondContact O-N 3.01Å; V65-K69 WeakPolarHBondContact O-CB 3.38Å; V65-K69 PolarHBondContact O-N 2.93Å |
| 66 | S | 81.1 | Confident | 75.1 | Confident | 43 Ų | 43 | 112.9 Ų | 112.9 | 30% | 0.301 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 176.4 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | Y62 L63 W64 K69 T70 | Y62-S66 VanDerWaalsContact O-CB 3.3Å; Y62-S66 WeakPolarHBondContact O-CB 3.21Å; Y62-S66 PolarHBondContact O-N 3.4Å; Y62-S66 PolarHBondContact O-OG 2.81Å; L63-S66 PolarHBondContact O-N 2.89Å; W64-S66 VanDerWaalsContact C-N 3.33Å; S66-K69 PolarHBondContact O-N 3.32Å; S66-T70 WeakPolarHBondContact O-CG2 3.39Å; S66-T70 PolarHBondContact O-N 2.91Å; S66-T70 PolarHBondContact O-OG1 3.34Å |
| 67 | L | 80.5 | Confident | 73.5 | Confident | 96 Ų | 96 | 111.9 Ų | 111.9 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.2 | -42.5 | 172.9 | -166.2 | 88.1 | 0 | 0 | 0 | 111.6 | L63 W64 K69 T70 I71 | L63-L67 WeakPolarHBondContact O-CB 3.35Å; L63-L67 PolarHBondContact O-N 3.37Å; W64-L67 PolarHBondContact O-N 3.46Å; L67-K69 VanDerWaalsContact C-N 3.32Å; L67-K69 PolarHBondContact O-N 3.05Å; L67-T70 WeakPolarHBondContact CA-OG1 3.37Å; L67-T70 PolarHBondContact O-N 2.83Å; L67-T70 PolarHBondContact O-OG1 3.46Å; L67-I71 HydrophobicContact CD2-CD1 4.21Å; L67-I71 HydrophobicContact CG-CD1 4.03Å; L67-I71 WeakPolarHBondContact O-CD1 3.35Å; L67-I71 VanDerWaalsContact O-CG1 3.25Å; L67-I71 WeakPolarHBondContact O-CG1 3.27Å; L67-I71 PolarHBondContact O-N 3.39Å |
| 68 | L | 81.6 | Confident | 72.1 | Confident | 99 Ų | 99 | 114.1 Ų | 114.1 | 52% | 0.518 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.5 | -42.1 | 177.5 | -132.5 | 81.2 | 0 | 0 | 0 | 110.8 | W64 V65 I71 F72 | W64-L68 HydrophobicContact CE3-CD1 4.46Å; W64-L68 WeakPolarHBondContact O-CB 3.25Å; W64-L68 PolarHBondContact O-N 3.44Å; V65-L68 PolarHBondContact O-N 3.01Å; L68-I71 PolarHBondContact O-N 2.83Å; L68-F72 WeakPolarHBondContact O-CB 3.47Å; L68-F72 PolarHBondContact O-N 3.46Å |
| 69 | K | 74.1 | Confident | 70.5 | Confident | 157 Ų | 157 | 114.4 Ų | 114.4 | 68% | 0.683 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.9 | -41.2 | -179.6 | -173.2 | 157.8 | 173.8 | 145.1 | 0 | 111.7 | V65 S66 L67 F72 W73 | V65-K69 WeakPolarHBondContact O-CB 3.38Å; V65-K69 PolarHBondContact O-N 2.93Å; S66-K69 PolarHBondContact O-N 3.32Å; L67-K69 VanDerWaalsContact C-N 3.32Å; L67-K69 PolarHBondContact O-N 3.05Å; K69-F72 PolarHBondContact O-N 3.32Å; K69-W73 VanDerWaalsContact O-CB 3.27Å; K69-W73 WeakPolarHBondContact O-CB 3.43Å; K69-W73 PolarHBondContact O-N 3.37Å |
| 70 | T | 70 | Confident | 69 | Low | 87 Ų | 87 | 109 Ų | 109 | 53% | 0.534 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.5 | -42.6 | 174.3 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | S66 L67 S74 | S66-T70 WeakPolarHBondContact O-CG2 3.39Å; S66-T70 PolarHBondContact O-N 2.91Å; S66-T70 PolarHBondContact O-OG1 3.34Å; L67-T70 WeakPolarHBondContact CA-OG1 3.37Å; L67-T70 PolarHBondContact O-N 2.83Å; L67-T70 PolarHBondContact O-OG1 3.46Å; T70-S74 PolarHBondContact O-N 3Å; T70-S74 VanDerWaalsContact O-N 3.14Å |
| 71 | I | 71.7 | Confident | 67.2 | Low | 91 Ų | 91 | 108.7 Ų | 108.7 | 47% | 0.467 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.5 | -40.5 | 176.4 | -66.1 | 166.7 | 0 | 0 | 0 | 111.8 | L67 L68 S74 R75 | L67-I71 HydrophobicContact CD2-CD1 4.21Å; L67-I71 HydrophobicContact CG-CD1 4.03Å; L67-I71 WeakPolarHBondContact O-CD1 3.35Å; L67-I71 VanDerWaalsContact O-CG1 3.25Å; L67-I71 WeakPolarHBondContact O-CG1 3.27Å; L67-I71 PolarHBondContact O-N 3.39Å; L68-I71 PolarHBondContact O-N 2.83Å; I71-S74 PolarHBondContact O-N 2.86Å; I71-S74 PolarHBondContact O-OG 3.45Å; I71-R75 PolarHBondContact O-N 3.33Å |
| 72 | F | 62.6 | Low | 65.6 | Low | 109 Ų | 109 | 108.5 Ų | 108.5 | 48% | 0.478 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -73.8 | -34.9 | -178.1 | -135 | -89.2 | 0 | 0 | 0 | 112.2 | L68 K69 S74 R75 N76 | L68-F72 WeakPolarHBondContact O-CB 3.47Å; L68-F72 PolarHBondContact O-N 3.46Å; K69-F72 PolarHBondContact O-N 3.32Å; F72-S74 VanDerWaalsContact C-N 3.32Å; F72-R75 PolarHBondContact O-N 3.14Å; F72-R75 VanDerWaalsContact O-N 3.13Å; F72-N76 PolarHBondContact O-N 3.39Å |
| 73 | W | 53.2 | Low | 64.2 | Low | 218 Ų | 218 | 104.7 Ų | 104.7 | 83% | 0.826 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.9 | -34.5 | 174.7 | -152.5 | 36.6 | 0 | 0 | 0 | 111.6 | K69 R75 | K69-W73 VanDerWaalsContact O-CB 3.27Å; K69-W73 WeakPolarHBondContact O-CB 3.43Å; K69-W73 PolarHBondContact O-N 3.37Å; W73-R75 PolarHBondContact O-N 2.95Å |
| 74 | S | 53.2 | Low | 62.7 | Low | 82 Ų | 82 | 104.6 Ų | 104.6 | 57% | 0.573 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.3 | -19.4 | 171.9 | 109.6 | 0 | 0 | 0 | 0 | 113.5 | T70 I71 F72 | T70-S74 PolarHBondContact O-N 3Å; T70-S74 VanDerWaalsContact O-N 3.14Å; I71-S74 PolarHBondContact O-N 2.86Å; I71-S74 PolarHBondContact O-OG 3.45Å; F72-S74 VanDerWaalsContact C-N 3.32Å |
| 75 | R | 48.8 | Very low | 61.2 | Low | 157 Ų | 157 | 103.6 Ų | 103.6 | 59% | 0.592 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -93.3 | -37.6 | 179.9 | -165.2 | 137.1 | 76.5 | -175.4 | 5.6 | 112.8 | I71 F72 W73 G77 | I71-R75 PolarHBondContact O-N 3.33Å; F72-R75 PolarHBondContact O-N 3.14Å; F72-R75 VanDerWaalsContact O-N 3.13Å; W73-R75 PolarHBondContact O-N 2.95Å; R75-G77 VanDerWaalsContact C-N 3.32Å; R75-G77 PolarHBondContact O-N 3.04Å |
| 76 | N | 48.5 | Very low | 59.9 | Low | 106 Ų | 106 | 104.4 Ų | 104.4 | 57% | 0.567 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -76.3 | -13.8 | -177.7 | -75.4 | 5.8 | 0 | 0 | 0 | 114.4 | F72 | F72-N76 PolarHBondContact O-N 3.39Å |
| 77 | G | 49.8 | Very low | 59 | Low | 65 Ų | 65 | 110.4 Ų | 110.4 | 67% | 0.67 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -7.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R75 | R75-G77 VanDerWaalsContact C-N 3.32Å; R75-G77 PolarHBondContact O-N 3.04Å |
| 78 | H | 50.2 | Low | 57.8 | Low | 130 Ų | 130 | 108.4 Ų | 108.4 | 60% | 0.602 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -108.4 | -3.8 | -170 | -90.3 | -39.5 | 0 | 0 | 0 | 116 | T82 | H78-T82 PolarHBondContact O-OG1 3.29Å; H78-T82 VanDerWaalsContact O-OG1 3.07Å |
| 79 | D | 48.6 | Very low | 56.6 | Low | 117 Ų | 117 | 111.2 Ų | 111.2 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -12.3 | -171.2 | -74.4 | -16.4 | 0 | 0 | 0 | 114.5 | ||
| 80 | G | 52.3 | Low | 55.7 | Low | 57 Ų | 57 | 111.6 Ų | 111.6 | 59% | 0.588 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -31.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 81 | S | 52.4 | Low | 55.1 | Low | 72 Ų | 72 | 111.3 Ų | 111.3 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -85.3 | -32.2 | -171.3 | 174.1 | 0 | 0 | 0 | 0 | 113 | Q85 | S81-Q85 WeakPolarHBondContact O-CG 3.22Å; S81-Q85 PolarHBondContact O-N 3.07Å |
| 82 | T | 54.6 | Low | 54.5 | Low | 76 Ų | 76 | 112 Ų | 112 | 47% | 0.466 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.6 | -35 | -177.2 | 42.2 | 0 | 0 | 0 | 0 | 112.6 | H78 Q86 | H78-T82 PolarHBondContact O-OG1 3.29Å; H78-T82 VanDerWaalsContact O-OG1 3.07Å; T82-Q86 WeakPolarHBondContact O-CB 3.4Å; T82-Q86 PolarHBondContact O-N 3.21Å |
| 83 | D | 57.3 | Low | 54.2 | Low | 84 Ų | 84 | 113 Ų | 113 | 45% | 0.449 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.9 | -40.8 | 177.2 | -170.1 | 63.1 | 0 | 0 | 0 | 112.1 | Q86 R87 | D83-Q86 PolarHBondContact O-N 2.82Å; D83-R87 VanDerWaalsContact O-CB 3.23Å; D83-R87 WeakPolarHBondContact O-CB 3.48Å; D83-R87 PolarHBondContact O-N 3.46Å; D83-R87 IonicContact OD2-CZ 3.02Å; D83-R87 IonicContact OD2-NH1 2.88Å; D83-R87 PolarHBondContact OD2-NH1 3.13Å |
| 84 | V | 57 | Low | 54.4 | Low | 97 Ų | 97 | 112.6 Ų | 112.6 | 59% | 0.588 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.7 | -44.5 | 178.7 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | Q86 R87 A88 | V84-Q86 VanDerWaalsContact C-N 3.34Å; V84-Q86 PolarHBondContact O-N 3.14Å; V84-R87 PolarHBondContact O-N 3.16Å; V84-A88 WeakPolarHBondContact O-CB 3.48Å; V84-A88 PolarHBondContact O-N 3.34Å |
| 85 | Q | 53.9 | Low | 54.3 | Low | 144 Ų | 144 | 118.3 Ų | 118.3 | 67% | 0.673 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.7 | -36.5 | 176.7 | -69.8 | -134.9 | -29.2 | 0 | 0 | 112.3 | S81 W89 | S81-Q85 WeakPolarHBondContact O-CG 3.22Å; S81-Q85 PolarHBondContact O-N 3.07Å; Q85-W89 VanDerWaalsContact O-CB 3.25Å; Q85-W89 WeakPolarHBondContact O-CB 3.25Å; Q85-W89 PolarHBondContact O-N 3.11Å |
| 86 | Q | 57.2 | Low | 54.3 | Low | 106 Ų | 106 | 116 Ų | 116 | 50% | 0.495 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.8 | -33.3 | 178.6 | -165.8 | 152.3 | -39.8 | 0 | 0 | 112.4 | T82 D83 V84 R90 | T82-Q86 WeakPolarHBondContact O-CB 3.4Å; T82-Q86 PolarHBondContact O-N 3.21Å; D83-Q86 PolarHBondContact O-N 2.82Å; V84-Q86 VanDerWaalsContact C-N 3.34Å; V84-Q86 PolarHBondContact O-N 3.14Å; Q86-R90 WeakPolarHBondContact O-CG 3.31Å; Q86-R90 PolarHBondContact O-N 3.01Å |
| 87 | R | 60.7 | Low | 54.5 | Low | 168 Ų | 168 | 116.8 Ų | 116.8 | 63% | 0.634 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69 | -41.8 | 171.7 | -170.4 | 179.1 | -94.9 | 123.9 | -2.8 | 111.5 | D83 V84 R90 S91 | D83-R87 VanDerWaalsContact O-CB 3.23Å; D83-R87 WeakPolarHBondContact O-CB 3.48Å; D83-R87 PolarHBondContact O-N 3.46Å; D83-R87 IonicContact OD2-CZ 3.02Å; D83-R87 IonicContact OD2-NH1 2.88Å; D83-R87 PolarHBondContact OD2-NH1 3.13Å; V84-R87 PolarHBondContact O-N 3.16Å; R87-R90 PolarHBondContact O-N 3.45Å; R87-S91 PolarHBondContact O-N 3.5Å |
| 88 | A | 56.5 | Low | 54.7 | Low | 55 Ų | 55 | 116.8 Ų | 116.8 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.9 | -39.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V84 S91 N92 | V84-A88 WeakPolarHBondContact O-CB 3.48Å; V84-A88 PolarHBondContact O-N 3.34Å; A88-S91 PolarHBondContact O-N 3.37Å; A88-N92 PolarHBondContact O-N 3.25Å |
| 89 | W | 56 | Low | 54.6 | Low | 158 Ų | 158 | 117.1 Ų | 117.1 | 60% | 0.598 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.5 | -39.5 | 177.9 | -170.2 | 83.6 | 0 | 0 | 0 | 112.9 | Q85 S91 N92 R93 | Q85-W89 VanDerWaalsContact O-CB 3.25Å; Q85-W89 WeakPolarHBondContact O-CB 3.25Å; Q85-W89 PolarHBondContact O-N 3.11Å; W89-S91 VanDerWaalsContact C-N 3.32Å; W89-S91 PolarHBondContact O-N 3.07Å; W89-N92 PolarHBondContact O-N 3.38Å; W89-R93 PolarHBondContact O-N 2.93Å; W89-R93 VanDerWaalsContact O-N 3.12Å |
| 90 | R | 55.9 | Low | 54.5 | Low | 165 Ų | 165 | 120.3 Ų | 120.3 | 62% | 0.623 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.5 | -34 | 174.2 | -78.3 | -174.6 | -178.4 | 148.8 | -0.9 | 112.8 | Q86 R87 | Q86-R90 WeakPolarHBondContact O-CG 3.31Å; Q86-R90 PolarHBondContact O-N 3.01Å; R87-R90 PolarHBondContact O-N 3.45Å |
| 91 | S | 57.2 | Low | 54.3 | Low | 81 Ų | 81 | 122.9 Ų | 122.9 | 57% | 0.566 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.9 | -44.9 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | R87 A88 W89 R93 R94 R95 | R87-S91 PolarHBondContact O-N 3.5Å; A88-S91 PolarHBondContact O-N 3.37Å; W89-S91 VanDerWaalsContact C-N 3.32Å; W89-S91 PolarHBondContact O-N 3.07Å; S91-R93 VanDerWaalsContact C-N 3.33Å; S91-R93 PolarHBondContact O-N 3.41Å; S91-R94 PolarHBondContact O-N 3.23Å; S91-R95 PolarHBondContact O-N 3.49Å |
| 92 | N | 58.6 | Low | 54.2 | Low | 104 Ų | 104 | 126.2 Ų | 126.2 | 56% | 0.556 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.7 | -28 | 179.6 | -106.3 | -29.9 | 0 | 0 | 0 | 113.6 | A88 W89 R95 Q96 | A88-N92 PolarHBondContact O-N 3.25Å; W89-N92 PolarHBondContact O-N 3.38Å; N92-R95 PolarHBondContact O-N 3.04Å; N92-Q96 PolarHBondContact O-N 3.49Å; N92-Q96 VanDerWaalsContact O-N 3.07Å |
| 93 | R | 55.8 | Low | 53.7 | Low | 130 Ų | 130 | 127.6 Ų | 127.6 | 49% | 0.491 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.7 | -39.5 | 178.4 | -165.3 | 165.4 | -172.6 | 170.4 | 1.9 | 112.7 | W89 S91 Q96 E97 | W89-R93 PolarHBondContact O-N 2.93Å; W89-R93 VanDerWaalsContact O-N 3.12Å; S91-R93 VanDerWaalsContact C-N 3.33Å; S91-R93 PolarHBondContact O-N 3.41Å; R93-Q96 PolarHBondContact O-N 2.9Å; R93-E97 PolarHBondContact O-N 3.43Å |
| 94 | R | 57.3 | Low | 53.4 | Low | 210 Ų | 210 | 132.4 Ų | 132.4 | 79% | 0.792 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.9 | -34.2 | 175.1 | -70.5 | -169.4 | -176 | -172.8 | 1.4 | 112.9 | S91 | S91-R94 PolarHBondContact O-N 3.23Å |
| 95 | R | 52.5 | Low | 52.6 | Low | 202 Ų | 202 | 135.6 Ų | 135.6 | 76% | 0.762 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.4 | -31.4 | 174.4 | -103.1 | -169.5 | -176.4 | -167.6 | 1.9 | 113.5 | S91 N92 | S91-R95 PolarHBondContact O-N 3.49Å; N92-R95 PolarHBondContact O-N 3.04Å |
| 96 | Q | 48.7 | Very low | 52.5 | Low | 109 Ų | 109 | 135 Ų | 135 | 51% | 0.509 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -80 | -22.8 | 179.1 | -78.2 | -133.7 | -15.4 | 0 | 0 | 114.3 | N92 R93 G98 L99 R100 | N92-Q96 PolarHBondContact O-N 3.49Å; N92-Q96 VanDerWaalsContact O-N 3.07Å; R93-Q96 PolarHBondContact O-N 2.9Å; Q96-G98 PolarHBondContact O-N 2.94Å; Q96-L99 PolarHBondContact O-N 2.85Å; Q96-R100 WeakPolarHBondContact O-CB 3.12Å; Q96-R100 VanDerWaalsContact O-CG 3.25Å; Q96-R100 WeakPolarHBondContact O-CG 3.25Å; Q96-R100 PolarHBondContact O-N 3.12Å |
| 97 | E | 52.3 | Low | 51.6 | Low | 122 Ų | 122 | 139.2 Ų | 139.2 | 57% | 0.57 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -67 | -23.9 | 175.5 | -78.5 | 160.5 | -174.1 | 0 | 0 | 112.3 | R93 | R93-E97 PolarHBondContact O-N 3.43Å |
| 98 | G | 54.6 | Low | 50.9 | Low | 66 Ų | 66 | 141.1 Ų | 141.1 | 68% | 0.68 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -15.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q96 | Q96-G98 PolarHBondContact O-N 2.94Š|
| 99 | L | 47 | Very low | 50.2 | Low | 137 Ų | 137 | 149.6 Ų | 149.6 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | -1.4 | -177.9 | -79.4 | 167.9 | 0 | 0 | 0 | 113.7 | Q96 S101 | Q96-L99 PolarHBondContact O-N 2.85Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 3.4Å |
| 100 | R | 46.9 | Very low | 49.7 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 69% | 0.694 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 2.7 | -172.2 | -96.5 | 176.5 | 179.7 | -150.4 | -1.1 | 116 | Q96 | Q96-R100 WeakPolarHBondContact O-CB 3.12Å; Q96-R100 VanDerWaalsContact O-CG 3.25Å; Q96-R100 WeakPolarHBondContact O-CG 3.25Å; Q96-R100 PolarHBondContact O-N 3.12Å |
| 101 | S | 48 | Very low | 49.3 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -5.4 | 174.5 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | L99 | L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 3.4Å |
| 102 | I | 49.8 | Very low | 49.2 | Very low | 143 Ų | 143 | 146 Ų | 146 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -132.3 | 127.9 | 179.9 | -50.8 | 177.6 | 0 | 0 | 0 | 109.3 | ||
| 103 | C | 45.3 | Very low | 48.7 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | trans | 91.4 | 83.8 | 173.2 | -159.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 104 | M | 49.2 | Very low | 48.3 | Very low | 186 Ų | 186 | 155.1 Ų | 155.1 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | -78.1 | 108.4 | 143.9 | -78.9 | -138.9 | 80.8 | 0 | 0 | 108.4 | ||||
| 105 | H | 40.1 | Very low | 48 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | -137 | 137.9 | 153.1 | -96.1 | -77.4 | 0 | 0 | 0 | 111.3 | K107 | H105-K107 PolarHBondContact O-N 3.47Š| ||
| 106 | T | 52.1 | Low | 48.2 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -46.8 | 113.5 | -172.2 | 40.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 107 | K | 38.2 | Very low | 48.5 | Very low | 195 Ų | 195 | 146.4 Ų | 146.4 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | trans | -120.5 | 99.5 | 154.3 | -90.2 | -175.8 | 177.2 | 177.8 | 0 | 109.5 | H105 R109 | H105-K107 PolarHBondContact O-N 3.47Å; K107-R109 PolarHBondContact O-N 3.07Å | ||
| 108 | K | 47 | Very low | 48.9 | Very low | 208 Ų | 208 | 146 Ų | 146 | 90% | 0.904 | 75% | 0.75 | S | S | * | * | trans | -51.5 | 108.4 | 160.3 | -86.6 | -175.8 | 175.9 | 177.2 | 0 | 107.6 | V110 | K108-V110 PolarHBondContact O-N 3.48Š| ||
| 109 | R | 42.4 | Very low | 49.1 | Very low | 233 Ų | 233 | 147.3 Ų | 147.3 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | trans | -85.1 | 106 | 164.9 | -72.2 | -170.7 | 179.7 | -167.6 | -0.3 | 107.3 | K107 S111 | K107-R109 PolarHBondContact O-N 3.07Å; R109-S111 PolarHBondContact O-N 3.35Å | ||
| 110 | V | 45.7 | Very low | 50.2 | Low | 128 Ų | 128 | 146 Ų | 146 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -62.7 | 102.5 | 159.5 | 177 | 0 | 0 | 0 | 0 | 106.1 | K108 S112 | K108-V110 PolarHBondContact O-N 3.48Å; V110-S112 VanDerWaalsContact C-N 3.25Å; V110-S112 PolarHBondContact O-N 3.18Å; V110-S112 VanDerWaalsContact O-N 3.1Å | ||
| 111 | S | 46.6 | Very low | 51.3 | Low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -82.8 | 72.6 | 175.4 | 52.1 | 0 | 0 | 0 | 0 | 109.4 | R109 | R109-S111 PolarHBondContact O-N 3.35Š| ||
| 112 | S | 54.5 | Low | 52.6 | Low | 84 Ų | 84 | 143.2 Ų | 143.2 | 59% | 0.587 | 72% | 0.722 | S | S | * | * | trans | -71.8 | 146.9 | 166.4 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | V110 | V110-S112 VanDerWaalsContact C-N 3.25Å; V110-S112 PolarHBondContact O-N 3.18Å; V110-S112 VanDerWaalsContact O-N 3.1Å | ||
| 113 | F | 48.6 | Very low | 53.8 | Low | 186 Ų | 186 | 140.5 Ų | 140.5 | 82% | 0.816 | 71% | 0.711 | S | S | * | * | trans | 94.2 | 65.4 | 180 | -61.6 | -79.2 | 0 | 0 | 0 | 118.3 | G115 | F113-G115 VanDerWaalsContact C-N 3.28Š| ||
| 114 | R | 48.1 | Very low | 55.5 | Low | 240 Ų | 240 | 139.2 Ų | 139.2 | 91% | 0.906 | 70% | 0.697 | S | S | * | * | trans | -86.2 | 23.4 | 160.2 | -156.5 | -179.7 | -171.4 | -129.5 | 4.1 | 113 | ||||
| 115 | G | 49.6 | Very low | 57.2 | Low | 44 Ų | 44 | 134.2 Ų | 134.2 | 45% | 0.454 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -96.4 | -44.7 | -174 | 0 | 0 | 0 | 0 | 0 | 115.4 | F113 | F113-G115 VanDerWaalsContact C-N 3.28Š|
| 116 | N | 56.8 | Low | 59.1 | Low | 138 Ų | 138 | 131.7 Ų | 131.7 | 74% | 0.738 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -92.3 | -6.6 | -167.3 | -93.8 | 18.1 | 0 | 0 | 0 | 116.5 | I118 L120 | N116-I118 VanDerWaalsContact C-N 3.35Å; N116-L120 PolarHBondContact O-N 2.96Å |
| 117 | K | 56.5 | Low | 60.8 | Low | 157 Ų | 157 | 133.4 Ų | 133.4 | 68% | 0.683 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76.6 | -21.3 | -177 | -71.9 | -177.4 | -179.1 | 177.2 | 0 | 113.6 | K121 | K117-K121 WeakPolarHBondContact O-CD 3.23Å; K117-K121 WeakPolarHBondContact O-CG 3.45Å |
| 118 | I | 59.5 | Low | 63 | Low | 113 Ų | 113 | 132.3 Ų | 132.3 | 58% | 0.579 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.9 | -53.3 | -178.3 | -61.1 | 171 | 0 | 0 | 0 | 108.9 | N116 L120 K121 D122 | N116-I118 VanDerWaalsContact C-N 3.35Å; I118-L120 PolarHBondContact O-N 3.39Å; I118-K121 PolarHBondContact O-N 3.48Å; I118-K121 VanDerWaalsContact O-N 3.16Å; I118-D122 PolarHBondContact O-N 3.47Å; I118-D122 VanDerWaalsContact O-N 3.11Å |
| 119 | V | 59.1 | Low | 64.9 | Low | 94 Ų | 94 | 126.7 Ų | 126.7 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -59.6 | -43.2 | -179.3 | -176.3 | 0 | 0 | 0 | 0 | 112.7 | K121 D122 V123 | V119-K121 PolarHBondContact O-N 2.83Å; V119-D122 PolarHBondContact O-N 2.93Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.35Å; V119-V123 PolarHBondContact O-N 2.96Å |
| 120 | L | 70.9 | Confident | 67.1 | Low | 109 Ų | 109 | 119.3 Ų | 119.3 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.3 | -37.1 | 179.6 | -176.4 | 64.2 | 0 | 0 | 0 | 112.4 | N116 I118 D122 V123 I124 | N116-L120 PolarHBondContact O-N 2.96Å; I118-L120 PolarHBondContact O-N 3.39Å; L120-D122 VanDerWaalsContact C-N 3.33Å; L120-V123 PolarHBondContact O-N 3.08Å; L120-I124 HydrophobicContact CD1-CD1 4.25Å; L120-I124 HydrophobicContact CG-CD1 3.97Å; L120-I124 WeakPolarHBondContact O-CD1 3.23Å; L120-I124 VanDerWaalsContact O-CG1 3.23Å; L120-I124 WeakPolarHBondContact O-CG1 3.46Å; L120-I124 PolarHBondContact O-N 3.47Å; L120-I124 VanDerWaalsContact O-N 3.08Å |
| 121 | K | 70.4 | Confident | 69 | Low | 141 Ų | 141 | 116.5 Ų | 116.5 | 61% | 0.613 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64 | -42.1 | 176.2 | -78.7 | 177 | -180 | -174.7 | 0 | 110.8 | K117 I118 V119 I124 T125 | K117-K121 WeakPolarHBondContact O-CD 3.23Å; K117-K121 WeakPolarHBondContact O-CG 3.45Å; I118-K121 PolarHBondContact O-N 3.48Å; I118-K121 VanDerWaalsContact O-N 3.16Å; V119-K121 PolarHBondContact O-N 2.83Å; K121-I124 PolarHBondContact O-N 2.93Å; K121-T125 PolarHBondContact O-N 3.31Å; K121-T125 PolarHBondContact O-OG1 3.35Å |
| 122 | D | 74.2 | Confident | 71 | Confident | 95 Ų | 95 | 115 Ų | 115 | 51% | 0.508 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.3 | -36.6 | 179.7 | -66.3 | -24.9 | 0 | 0 | 0 | 112.4 | I118 V119 L120 T125 L126 | I118-D122 PolarHBondContact O-N 3.47Å; I118-D122 VanDerWaalsContact O-N 3.11Å; V119-D122 PolarHBondContact O-N 2.93Å; L120-D122 VanDerWaalsContact C-N 3.33Å; D122-T125 VanDerWaalsContact CA-OG1 3.28Å; D122-T125 WeakPolarHBondContact CA-OG1 3.43Å; D122-T125 PolarHBondContact O-OG1 3.25Å; D122-L126 WeakPolarHBondContact O-CB 3.28Å; D122-L126 PolarHBondContact O-N 3.27Å |
| 123 | V | 75.6 | Confident | 72.8 | Confident | 86 Ų | 86 | 117 Ų | 117 | 52% | 0.521 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.1 | -39.7 | 173.9 | 173 | 0 | 0 | 0 | 0 | 111.4 | V119 L120 R127 | V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.35Å; V119-V123 PolarHBondContact O-N 2.96Å; L120-V123 PolarHBondContact O-N 3.08Å; V123-R127 WeakPolarHBondContact O-CB 3.17Å; V123-R127 PolarHBondContact O-N 2.94Å |
| 124 | I | 80.6 | Confident | 74.8 | Confident | 77 Ų | 77 | 111.7 Ų | 111.7 | 40% | 0.395 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.9 | -41.6 | 178.8 | -67.3 | 166.3 | 0 | 0 | 0 | 111.2 | L120 K121 R127 R128 | L120-I124 HydrophobicContact CD1-CD1 4.25Å; L120-I124 HydrophobicContact CG-CD1 3.97Å; L120-I124 WeakPolarHBondContact O-CD1 3.23Å; L120-I124 VanDerWaalsContact O-CG1 3.23Å; L120-I124 WeakPolarHBondContact O-CG1 3.46Å; L120-I124 PolarHBondContact O-N 3.47Å; L120-I124 VanDerWaalsContact O-N 3.08Å; K121-I124 PolarHBondContact O-N 2.93Å; I124-R127 PolarHBondContact O-N 2.94Å; I124-R128 WeakPolarHBondContact O-CG 3.38Å; I124-R128 PolarHBondContact O-N 2.92Å |
| 125 | T | 83.7 | Confident | 76.7 | Confident | 80 Ų | 80 | 107.8 Ų | 107.8 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 176 | 44.7 | 0 | 0 | 0 | 0 | 111.2 | K121 D122 R127 R128 H129 | K121-T125 PolarHBondContact O-N 3.31Å; K121-T125 PolarHBondContact O-OG1 3.35Å; D122-T125 VanDerWaalsContact CA-OG1 3.28Å; D122-T125 WeakPolarHBondContact CA-OG1 3.43Å; D122-T125 PolarHBondContact O-OG1 3.25Å; T125-R127 PolarHBondContact O-N 3.43Å; T125-R128 PolarHBondContact O-N 2.92Å; T125-H129 WeakPolarHBondContact O-CB 3.49Å; T125-H129 PolarHBondContact O-N 3.48Å |
| 126 | L | 81.7 | Confident | 78.6 | Confident | 111 Ų | 111 | 108 Ų | 108 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.5 | -44.5 | 175.5 | -172.8 | 65.5 | 0 | 0 | 0 | 111.5 | D122 R128 H129 V130 | D122-L126 WeakPolarHBondContact O-CB 3.28Å; D122-L126 PolarHBondContact O-N 3.27Å; L126-R128 PolarHBondContact O-N 3.31Å; L126-H129 PolarHBondContact O-N 3.47Å; L126-V130 WeakPolarHBondContact O-CG2 3.36Å; L126-V130 PolarHBondContact O-N 3.28Å |
| 127 | R | 87.3 | Confident | 80 | Confident | 168 Ų | 168 | 109 Ų | 109 | 63% | 0.634 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.8 | -47.6 | 175.1 | -178.3 | -177 | 167.3 | -156.5 | -5 | 111.7 | V123 I124 T125 H129 V130 E131 | V123-R127 WeakPolarHBondContact O-CB 3.17Å; V123-R127 PolarHBondContact O-N 2.94Å; I124-R127 PolarHBondContact O-N 2.94Å; T125-R127 PolarHBondContact O-N 3.43Å; R127-H129 VanDerWaalsContact C-N 3.32Å; R127-H129 PolarHBondContact O-N 3.48Å; R127-V130 PolarHBondContact O-N 3Å; R127-E131 IonicContact CZ-OE1 2.94Å; R127-E131 VanDerWaalsContact CZ-OE1 3.28Å; R127-E131 IonicContact NE-OE1 2.94Å; R127-E131 PolarHBondContact NE-OE1 3.08Å; R127-E131 IonicContact NH2-OE1 3.35Å; R127-E131 PolarHBondContact NH2-OE1 3.3Å; R127-E131 WeakPolarHBondContact O-CB 3.38Å; R127-E131 WeakPolarHBondContact O-CG 3.4Å; R127-E131 PolarHBondContact O-N 3.28Å |
| 128 | R | 84.9 | Confident | 81.5 | Confident | 171 Ų | 171 | 105.6 Ų | 105.6 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.9 | -41.6 | 178 | -75.4 | 178.1 | 177.2 | -177.1 | -0.1 | 111.7 | I124 T125 L126 E131 T132 | I124-R128 WeakPolarHBondContact O-CG 3.38Å; I124-R128 PolarHBondContact O-N 2.92Å; T125-R128 PolarHBondContact O-N 2.92Å; L126-R128 PolarHBondContact O-N 3.31Å; R128-E131 PolarHBondContact O-N 2.9Å; R128-T132 WeakPolarHBondContact O-CG2 3.23Å; R128-T132 PolarHBondContact O-N 2.9Å; R128-T132 PolarHBondContact O-OG1 3.47Å |
| 129 | H | 85.6 | Confident | 82.8 | Confident | 91 Ų | 91 | 109.1 Ų | 109.1 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 178.1 | 174 | -100.8 | 0 | 0 | 0 | 112.8 | T125 L126 R127 T132 K133 | T125-H129 WeakPolarHBondContact O-CB 3.49Å; T125-H129 PolarHBondContact O-N 3.48Å; L126-H129 PolarHBondContact O-N 3.47Å; R127-H129 VanDerWaalsContact C-N 3.32Å; R127-H129 PolarHBondContact O-N 3.48Å; H129-T132 PolarHBondContact O-OG1 2.97Å; H129-K133 WeakPolarHBondContact CE1-CE 3.45Å; H129-K133 WeakPolarHBondContact NE2-CE 3.38Å; H129-K133 PolarHBondContact O-N 3.43Å; H129-K133 VanDerWaalsContact O-N 3.08Å |
| 130 | V | 89.3 | Confident | 83.9 | Confident | 77 Ų | 77 | 112.2 Ų | 112.2 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.4 | -44 | 174.2 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | L126 R127 T132 K133 V134 | L126-V130 WeakPolarHBondContact O-CG2 3.36Å; L126-V130 PolarHBondContact O-N 3.28Å; R127-V130 PolarHBondContact O-N 3Å; V130-T132 VanDerWaalsContact C-N 3.34Å; V130-T132 PolarHBondContact O-N 2.87Å; V130-K133 PolarHBondContact O-N 3.26Å; V130-V134 HydrophobicContact CG1-CG2 4.32Å; V130-V134 WeakPolarHBondContact O-CG2 3.36Å; V130-V134 PolarHBondContact O-N 2.91Å |
| 131 | E | 84.6 | Confident | 84.4 | Confident | 70 Ų | 70 | 116.2 Ų | 116.2 | 33% | 0.327 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 177.2 | -77.5 | -178.1 | -173.6 | 0 | 0 | 112.2 | R127 R128 V134 R135 | R127-E131 IonicContact CZ-OE1 2.94Å; R127-E131 VanDerWaalsContact CZ-OE1 3.28Å; R127-E131 IonicContact NE-OE1 2.94Å; R127-E131 PolarHBondContact NE-OE1 3.08Å; R127-E131 IonicContact NH2-OE1 3.35Å; R127-E131 PolarHBondContact NH2-OE1 3.3Å; R127-E131 WeakPolarHBondContact O-CB 3.38Å; R127-E131 WeakPolarHBondContact O-CG 3.4Å; R127-E131 PolarHBondContact O-N 3.28Å; R128-E131 PolarHBondContact O-N 2.9Å; E131-V134 PolarHBondContact O-N 3.27Å; E131-R135 WeakPolarHBondContact O-CB 3.32Å; E131-R135 VanDerWaalsContact O-CG 3.23Å; E131-R135 WeakPolarHBondContact O-CG 3.35Å; E131-R135 PolarHBondContact O-N 3.39Å |
| 132 | T | 90.5 | Very high | 84.9 | Confident | 83 Ų | 83 | 116.9 Ų | 116.9 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 176.1 | 56.2 | 0 | 0 | 0 | 0 | 112 | R128 H129 V130 V134 R135 A136 | R128-T132 WeakPolarHBondContact O-CG2 3.23Å; R128-T132 PolarHBondContact O-N 2.9Å; R128-T132 PolarHBondContact O-OG1 3.47Å; H129-T132 PolarHBondContact O-OG1 2.97Å; V130-T132 VanDerWaalsContact C-N 3.34Å; V130-T132 PolarHBondContact O-N 2.87Å; T132-V134 PolarHBondContact O-N 2.96Å; T132-R135 PolarHBondContact O-N 3.49Å; T132-A136 WeakPolarHBondContact O-CB 3.35Å; T132-A136 PolarHBondContact O-N 3.18Å |
| 133 | K | 90.9 | Very high | 85.1 | Confident | 125 Ų | 125 | 116.5 Ų | 116.5 | 54% | 0.543 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 174.5 | -82.2 | -166.6 | 173.2 | -178.9 | 0 | 112.4 | H129 V130 A136 K137 | H129-K133 WeakPolarHBondContact CE1-CE 3.45Å; H129-K133 WeakPolarHBondContact NE2-CE 3.38Å; H129-K133 PolarHBondContact O-N 3.43Å; H129-K133 VanDerWaalsContact O-N 3.08Å; V130-K133 PolarHBondContact O-N 3.26Å; K133-A136 PolarHBondContact O-N 3.08Å; K133-K137 PolarHBondContact O-N 3.41Å |
| 134 | V | 91.9 | Very high | 84.7 | Confident | 75 Ų | 75 | 115.6 Ų | 115.6 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | V130 E131 T132 A136 K137 I138 | V130-V134 HydrophobicContact CG1-CG2 4.32Å; V130-V134 WeakPolarHBondContact O-CG2 3.36Å; V130-V134 PolarHBondContact O-N 2.91Å; E131-V134 PolarHBondContact O-N 3.27Å; T132-V134 PolarHBondContact O-N 2.96Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 3.15Å; V134-K137 PolarHBondContact O-N 2.89Å; V134-I138 HydrophobicContact CG1-CD1 3.79Å; V134-I138 HydrophobicContact CG1-CG1 4.41Å; V134-I138 VanDerWaalsContact O-CG1 3.31Å; V134-I138 WeakPolarHBondContact O-CG1 3.49Å; V134-I138 PolarHBondContact O-N 3.4Å |
| 135 | R | 87.5 | Confident | 84.4 | Confident | 159 Ų | 159 | 116.1 Ų | 116.1 | 60% | 0.6 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.1 | -41 | 175.8 | -73.9 | 175.1 | -176 | -160.8 | 2.8 | 112.2 | E131 T132 I138 R139 | E131-R135 WeakPolarHBondContact O-CB 3.32Å; E131-R135 VanDerWaalsContact O-CG 3.23Å; E131-R135 WeakPolarHBondContact O-CG 3.35Å; E131-R135 PolarHBondContact O-N 3.39Å; T132-R135 PolarHBondContact O-N 3.49Å; R135-I138 PolarHBondContact O-N 3.35Å; R135-R139 WeakPolarHBondContact O-CB 3.43Å; R135-R139 WeakPolarHBondContact O-CG 3.49Å; R135-R139 PolarHBondContact O-N 2.92Å |
| 136 | A | 88.4 | Confident | 83.8 | Confident | 49 Ų | 49 | 119 Ų | 119 | 41% | 0.405 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.2 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | T132 K133 V134 R139 K140 | T132-A136 WeakPolarHBondContact O-CB 3.35Å; T132-A136 PolarHBondContact O-N 3.18Å; K133-A136 PolarHBondContact O-N 3.08Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 3.15Å; A136-R139 PolarHBondContact O-N 3.21Å; A136-K140 WeakPolarHBondContact O-CB 3.33Å; A136-K140 WeakPolarHBondContact O-CG 3.31Å; A136-K140 PolarHBondContact O-N 3.38Å |
| 137 | K | 87.5 | Confident | 83.2 | Confident | 159 Ų | 159 | 118 Ų | 118 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 173.7 | -80.8 | -177 | 176.3 | -177.2 | 0 | 112.2 | K133 V134 K140 R141 | K133-K137 PolarHBondContact O-N 3.41Å; V134-K137 PolarHBondContact O-N 2.89Å; K137-K140 PolarHBondContact O-N 3.37Å; K137-R141 WeakPolarHBondContact O-CB 3.35Å; K137-R141 PolarHBondContact O-N 2.85Å |
| 138 | I | 88.6 | Confident | 81.9 | Confident | 85 Ų | 85 | 114.4 Ų | 114.4 | 44% | 0.436 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.3 | -67.8 | 167 | 0 | 0 | 0 | 110.6 | V134 R135 R141 K142 | V134-I138 HydrophobicContact CG1-CD1 3.79Å; V134-I138 HydrophobicContact CG1-CG1 4.41Å; V134-I138 VanDerWaalsContact O-CG1 3.31Å; V134-I138 WeakPolarHBondContact O-CG1 3.49Å; V134-I138 PolarHBondContact O-N 3.4Å; R135-I138 PolarHBondContact O-N 3.35Å; I138-R141 PolarHBondContact O-N 2.88Å; I138-K142 HydrophobicContact CG2-CD 4.39Å; I138-K142 WeakPolarHBondContact O-CG 3.38Å; I138-K142 PolarHBondContact O-N 2.95Å |
| 139 | R | 85.7 | Confident | 80.8 | Confident | 187 Ų | 187 | 111.8 Ų | 111.8 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.4 | -48.5 | 176.3 | -75.4 | 179 | 179.5 | 179.6 | -0.9 | 111.6 | R135 A136 R141 K142 V143 | R135-R139 WeakPolarHBondContact O-CB 3.43Å; R135-R139 WeakPolarHBondContact O-CG 3.49Å; R135-R139 PolarHBondContact O-N 2.92Å; A136-R139 PolarHBondContact O-N 3.21Å; R139-R141 VanDerWaalsContact C-N 3.34Å; R139-R141 PolarHBondContact O-N 2.91Å; R139-K142 PolarHBondContact O-N 3.42Å; R139-V143 WeakPolarHBondContact O-CG2 3.43Å; R139-V143 PolarHBondContact O-N 2.86Å |
| 140 | K | 83.1 | Confident | 79.6 | Confident | 159 Ų | 159 | 112.8 Ų | 112.8 | 69% | 0.691 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.3 | -46.5 | 175.8 | -76.1 | -171.4 | 177.9 | -169.6 | 0 | 111.5 | A136 K137 K142 V143 T144 | A136-K140 WeakPolarHBondContact O-CB 3.33Å; A136-K140 WeakPolarHBondContact O-CG 3.31Å; A136-K140 PolarHBondContact O-N 3.38Å; K137-K140 PolarHBondContact O-N 3.37Å; K140-K142 PolarHBondContact O-N 3.45Å; K140-V143 PolarHBondContact O-N 3.17Å; K140-T144 WeakPolarHBondContact O-CG2 3.44Å; K140-T144 PolarHBondContact O-N 2.88Å; K140-T144 PolarHBondContact O-OG1 3.46Å |
| 141 | R | 79.9 | Confident | 78.2 | Confident | 192 Ų | 192 | 113.8 Ų | 113.8 | 73% | 0.725 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.2 | -42.1 | 178.2 | -165.2 | 178 | -175.9 | -157.5 | 1.4 | 112.4 | K137 I138 R139 T144 T145 | K137-R141 WeakPolarHBondContact O-CB 3.35Å; K137-R141 PolarHBondContact O-N 2.85Å; I138-R141 PolarHBondContact O-N 2.88Å; R139-R141 VanDerWaalsContact C-N 3.34Å; R139-R141 PolarHBondContact O-N 2.91Å; R141-T144 WeakPolarHBondContact CA-OG1 3.48Å; R141-T144 PolarHBondContact O-N 3.41Å; R141-T144 PolarHBondContact O-OG1 2.94Å; R141-T145 WeakPolarHBondContact O-CB 3.45Å; R141-T145 PolarHBondContact O-N 3.25Å; R141-T145 PolarHBondContact O-OG1 3.38Å |
| 142 | K | 81 | Confident | 77.1 | Confident | 155 Ų | 155 | 118.2 Ų | 118.2 | 67% | 0.674 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.9 | -42.4 | 175.1 | -77.1 | -175.5 | 178.6 | -171.7 | 0 | 112 | I138 R139 K140 T145 K146 | I138-K142 HydrophobicContact CG2-CD 4.39Å; I138-K142 WeakPolarHBondContact O-CG 3.38Å; I138-K142 PolarHBondContact O-N 2.95Å; R139-K142 PolarHBondContact O-N 3.42Å; K140-K142 PolarHBondContact O-N 3.45Å; K142-T145 PolarHBondContact O-N 2.97Å; K142-K146 PolarHBondContact O-N 3.26Å |
| 143 | V | 78.1 | Confident | 75.8 | Confident | 87 Ų | 87 | 118.8 Ų | 118.8 | 53% | 0.527 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.2 | -47.5 | 176.7 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | R139 K140 T145 K146 I147 | R139-V143 WeakPolarHBondContact O-CG2 3.43Å; R139-V143 PolarHBondContact O-N 2.86Å; K140-V143 PolarHBondContact O-N 3.17Å; V143-T145 VanDerWaalsContact C-N 3.34Å; V143-T145 PolarHBondContact O-N 3.47Å; V143-K146 WeakPolarHBondContact O-CB 3.34Å; V143-K146 PolarHBondContact O-N 2.92Å; V143-K146 VanDerWaalsContact O-N 3.16Å; V143-I147 HydrophobicContact CG1-CD1 3.89Å; V143-I147 WeakPolarHBondContact O-CG1 3.48Å; V143-I147 PolarHBondContact O-N 2.95Å |
| 144 | T | 68.5 | Low | 74.5 | Confident | 68 Ų | 68 | 116.2 Ų | 116.2 | 42% | 0.417 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.8 | -38.1 | 178.1 | 53.1 | 0 | 0 | 0 | 0 | 112.5 | K140 R141 K146 I147 N148 | K140-T144 WeakPolarHBondContact O-CG2 3.44Å; K140-T144 PolarHBondContact O-N 2.88Å; K140-T144 PolarHBondContact O-OG1 3.46Å; R141-T144 WeakPolarHBondContact CA-OG1 3.48Å; R141-T144 PolarHBondContact O-N 3.41Å; R141-T144 PolarHBondContact O-OG1 2.94Å; T144-K146 VanDerWaalsContact C-N 3.31Å; T144-K146 PolarHBondContact O-N 3.42Å; T144-I147 PolarHBondContact O-N 3.34Å; T144-N148 WeakPolarHBondContact O-CB 3.48Å; T144-N148 VanDerWaalsContact O-CG 3.22Å; T144-N148 PolarHBondContact O-N 3.16Å; T144-N148 PolarHBondContact O-ND2 3.06Å |
| 145 | T | 74.6 | Confident | 73.1 | Confident | 88 Ų | 88 | 114.4 Ų | 114.4 | 54% | 0.54 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 175.2 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | R141 K142 V143 H149 | R141-T145 WeakPolarHBondContact O-CB 3.45Å; R141-T145 PolarHBondContact O-N 3.25Å; R141-T145 PolarHBondContact O-OG1 3.38Å; K142-T145 PolarHBondContact O-N 2.97Å; V143-T145 VanDerWaalsContact C-N 3.34Å; V143-T145 PolarHBondContact O-N 3.47Å; T145-H149 PolarHBondContact O-N 3.24Å |
| 146 | K | 69.9 | Low | 72 | Confident | 141 Ų | 141 | 114.5 Ų | 114.5 | 61% | 0.613 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.5 | -42.8 | 175.2 | -167.2 | 178.7 | 178.8 | -176.9 | 0 | 111.6 | K142 V143 T144 H149 H150 | K142-K146 PolarHBondContact O-N 3.26Å; V143-K146 WeakPolarHBondContact O-CB 3.34Å; V143-K146 PolarHBondContact O-N 2.92Å; V143-K146 VanDerWaalsContact O-N 3.16Å; T144-K146 VanDerWaalsContact C-N 3.31Å; T144-K146 PolarHBondContact O-N 3.42Å; K146-H149 WeakPolarHBondContact O-CB 3.36Å; K146-H149 PolarHBondContact O-N 3.39Å; K146-H150 PolarHBondContact O-CD2 3.1Å; K146-H150 PolarHBondContact O-N 2.92Å; K146-H150 VanDerWaalsContact O-N 3.13Å |
| 147 | I | 68.6 | Low | 70.9 | Confident | 90 Ų | 90 | 121.7 Ų | 121.7 | 46% | 0.462 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59 | -48.5 | 174.9 | -66.1 | 166.8 | 0 | 0 | 0 | 110.2 | V143 T144 H149 H150 D151 | V143-I147 HydrophobicContact CG1-CD1 3.89Å; V143-I147 WeakPolarHBondContact O-CG1 3.48Å; V143-I147 PolarHBondContact O-N 2.95Å; T144-I147 PolarHBondContact O-N 3.34Å; I147-H149 VanDerWaalsContact C-N 3.26Å; I147-H149 PolarHBondContact O-N 2.97Å; I147-H150 WeakPolarHBondContact O-CB 3.49Å; I147-H150 PolarHBondContact O-N 3.45Å; I147-D151 PolarHBondContact O-N 2.78Å; I147-D151 VanDerWaalsContact O-N 3.14Å |
| 148 | N | 61.2 | Low | 69.8 | Low | 92 Ų | 92 | 120.2 Ų | 120.2 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.1 | -31 | 177.7 | -68.6 | -17.8 | 0 | 0 | 0 | 113.3 | T144 K152 | T144-N148 WeakPolarHBondContact O-CB 3.48Å; T144-N148 VanDerWaalsContact O-CG 3.22Å; T144-N148 PolarHBondContact O-N 3.16Å; T144-N148 PolarHBondContact O-ND2 3.06Å; N148-K152 PolarHBondContact O-N 3.05Å |
| 149 | H | 61.5 | Low | 69 | Low | 116 Ų | 116 | 119.3 Ų | 119.3 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.4 | -38.4 | 174.5 | -171.4 | -78.5 | 0 | 0 | 0 | 111.9 | T145 K146 I147 D151 K152 I153 | T145-H149 PolarHBondContact O-N 3.24Å; K146-H149 WeakPolarHBondContact O-CB 3.36Å; K146-H149 PolarHBondContact O-N 3.39Å; I147-H149 VanDerWaalsContact C-N 3.26Å; I147-H149 PolarHBondContact O-N 2.97Å; H149-D151 VanDerWaalsContact C-N 3.34Å; H149-K152 PolarHBondContact O-N 2.96Å; H149-I153 VanDerWaalsContact CE1-CD1 3.48Å; H149-I153 WeakPolarHBondContact CE1-CD1 3.38Å; H149-I153 WeakPolarHBondContact ND1-CD1 3.44Å; H149-I153 WeakPolarHBondContact O-CG1 3.49Å; H149-I153 PolarHBondContact O-N 3.05Å |
| 150 | H | 60.7 | Low | 68.7 | Low | 112 Ų | 112 | 112.6 Ų | 112.6 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 174.7 | -77.8 | -73.7 | 0 | 0 | 0 | 112.1 | K146 I147 I153 N154 | K146-H150 PolarHBondContact O-CD2 3.1Å; K146-H150 PolarHBondContact O-N 2.92Å; K146-H150 VanDerWaalsContact O-N 3.13Å; I147-H150 WeakPolarHBondContact O-CB 3.49Å; I147-H150 PolarHBondContact O-N 3.45Å; H150-I153 PolarHBondContact O-N 3.09Å; H150-N154 PolarHBondContact O-N 3.5Å |
| 151 | D | 60.2 | Low | 68.6 | Low | 98 Ų | 98 | 113.8 Ų | 113.8 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.8 | -37.2 | 176.7 | -71.5 | -29.6 | 0 | 0 | 0 | 113 | I147 H149 I153 N154 G155 | I147-D151 PolarHBondContact O-N 2.78Å; I147-D151 VanDerWaalsContact O-N 3.14Å; H149-D151 VanDerWaalsContact C-N 3.34Å; D151-I153 PolarHBondContact O-N 3.31Å; D151-N154 PolarHBondContact O-N 3.49Å; D151-G155 PolarHBondContact O-N 3.14Å |
| 152 | K | 61.5 | Low | 68.7 | Low | 162 Ų | 162 | 112 Ų | 112 | 70% | 0.704 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.4 | -38.6 | 174.4 | -74.3 | -179.5 | 179.8 | -175.7 | 0 | 112.3 | N148 H149 G155 K156 | N148-K152 PolarHBondContact O-N 3.05Å; H149-K152 PolarHBondContact O-N 2.96Å; K152-G155 PolarHBondContact O-N 3.32Å; K152-K156 PolarHBondContact O-N 3.24Å |
| 153 | I | 63.1 | Low | 68.7 | Low | 95 Ų | 95 | 110.6 Ų | 110.6 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 174.6 | -65.6 | 169.4 | 0 | 0 | 0 | 110.2 | H149 H150 D151 G155 K156 R157 | H149-I153 VanDerWaalsContact CE1-CD1 3.48Å; H149-I153 WeakPolarHBondContact CE1-CD1 3.38Å; H149-I153 WeakPolarHBondContact ND1-CD1 3.44Å; H149-I153 WeakPolarHBondContact O-CG1 3.49Å; H149-I153 PolarHBondContact O-N 3.05Å; H150-I153 PolarHBondContact O-N 3.09Å; D151-I153 PolarHBondContact O-N 3.31Å; I153-G155 VanDerWaalsContact C-N 3.33Å; I153-G155 PolarHBondContact O-N 3.13Å; I153-K156 PolarHBondContact O-N 3.21Å; I153-R157 PolarHBondContact O-N 3.39Å; I153-R157 VanDerWaalsContact O-N 3.15Å |
| 154 | N | 62.5 | Low | 69.3 | Low | 72 Ų | 72 | 113.2 Ų | 113.2 | 39% | 0.385 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -35.6 | 178.1 | -161.8 | 16.3 | 0 | 0 | 0 | 112 | H150 D151 K156 R157 K158 | H150-N154 PolarHBondContact O-N 3.5Å; D151-N154 PolarHBondContact O-N 3.49Å; N154-K156 PolarHBondContact O-N 3.5Å; N154-R157 PolarHBondContact O-N 2.93Å; N154-K158 WeakPolarHBondContact O-CB 3.5Å; N154-K158 WeakPolarHBondContact O-CG 3.45Å; N154-K158 PolarHBondContact O-N 3.17Å |
| 155 | G | 63 | Low | 70.4 | Confident | 37 Ų | 37 | 115.1 Ų | 115.1 | 38% | 0.381 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.4 | -45.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D151 K152 I153 R157 K158 S159 | D151-G155 PolarHBondContact O-N 3.14Å; K152-G155 PolarHBondContact O-N 3.32Å; I153-G155 VanDerWaalsContact C-N 3.33Å; I153-G155 PolarHBondContact O-N 3.13Å; G155-R157 PolarHBondContact O-N 3.31Å; G155-K158 PolarHBondContact O-N 3.21Å; G155-S159 PolarHBondContact O-N 3.39Å; G155-S159 PolarHBondContact O-OG 3.24Å |
| 156 | K | 63.4 | Low | 71.1 | Confident | 161 Ų | 161 | 117.2 Ų | 117.2 | 70% | 0.7 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.9 | -37.8 | 174.7 | -70.3 | -176.4 | 179 | -173.8 | 0 | 112.7 | K152 I153 N154 S159 A160 | K152-K156 PolarHBondContact O-N 3.24Å; I153-K156 PolarHBondContact O-N 3.21Å; N154-K156 PolarHBondContact O-N 3.5Å; K156-S159 WeakPolarHBondContact CA-OG 3.41Å; K156-S159 PolarHBondContact O-OG 3.43Å; K156-A160 WeakPolarHBondContact O-CB 3.36Å; K156-A160 PolarHBondContact O-N 3.22Å |
| 157 | R | 65.8 | Low | 72.2 | Confident | 200 Ų | 200 | 115.8 Ų | 115.8 | 76% | 0.755 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.2 | -38.6 | 176.2 | -166.8 | 175.6 | -177 | 167.6 | 0.5 | 111.9 | I153 N154 G155 R161 | I153-R157 PolarHBondContact O-N 3.39Å; I153-R157 VanDerWaalsContact O-N 3.15Å; N154-R157 PolarHBondContact O-N 2.93Å; G155-R157 PolarHBondContact O-N 3.31Å; R157-R161 WeakPolarHBondContact O-CB 3.45Å; R157-R161 PolarHBondContact O-N 2.96Å; R157-R161 VanDerWaalsContact O-N 3.08Å |
| 158 | K | 64.4 | Low | 73.3 | Confident | 128 Ų | 128 | 120.6 Ų | 120.6 | 56% | 0.557 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.5 | -40.2 | 175.2 | -72.9 | 178.5 | -178.8 | -178.4 | 0 | 111.9 | N154 G155 R161 K162 | N154-K158 WeakPolarHBondContact O-CB 3.5Å; N154-K158 WeakPolarHBondContact O-CG 3.45Å; N154-K158 PolarHBondContact O-N 3.17Å; G155-K158 PolarHBondContact O-N 3.21Å; K158-R161 PolarHBondContact O-N 3.29Å; K158-K162 WeakPolarHBondContact O-CG 3.31Å; K158-K162 PolarHBondContact O-N 3.07Å |
| 159 | S | 72.3 | Confident | 74.8 | Confident | 66 Ų | 66 | 119 Ų | 119 | 46% | 0.462 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.7 | -44 | 176 | 63.4 | 0 | 0 | 0 | 0 | 112 | G155 K156 R161 K162 Q163 | G155-S159 PolarHBondContact O-N 3.39Å; G155-S159 PolarHBondContact O-OG 3.24Å; K156-S159 WeakPolarHBondContact CA-OG 3.41Å; K156-S159 PolarHBondContact O-OG 3.43Å; S159-R161 VanDerWaalsContact C-N 3.33Å; S159-R161 PolarHBondContact O-N 3.09Å; S159-K162 PolarHBondContact O-N 3.33Å; S159-Q163 PolarHBondContact O-N 3.4Å |
| 160 | A | 78.6 | Confident | 76.3 | Confident | 45 Ų | 45 | 117.7 Ų | 117.7 | 37% | 0.372 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.9 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K156 Q163 K164 | K156-A160 WeakPolarHBondContact O-CB 3.36Å; K156-A160 PolarHBondContact O-N 3.22Å; A160-Q163 PolarHBondContact O-N 2.93Å; A160-K164 WeakPolarHBondContact O-CG 3.48Å; A160-K164 PolarHBondContact O-N 3.45Å |
| 161 | R | 81.4 | Confident | 77.8 | Confident | 184 Ų | 184 | 116 Ų | 116 | 69% | 0.694 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 175.8 | -168 | 177.2 | 178.6 | 176.6 | -0.1 | 111.9 | R157 K158 S159 K164 M165 | R157-R161 WeakPolarHBondContact O-CB 3.45Å; R157-R161 PolarHBondContact O-N 2.96Å; R157-R161 VanDerWaalsContact O-N 3.08Å; K158-R161 PolarHBondContact O-N 3.29Å; S159-R161 VanDerWaalsContact C-N 3.33Å; S159-R161 PolarHBondContact O-N 3.09Å; R161-K164 PolarHBondContact O-N 3.49Å; R161-M165 HydrophobicContact CG-CE 4.31Å; R161-M165 WeakPolarHBondContact O-CG 3.14Å; R161-M165 PolarHBondContact O-N 3.23Å |
| 162 | K | 81.4 | Confident | 79.4 | Confident | 154 Ų | 154 | 116.8 Ų | 116.8 | 67% | 0.67 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.2 | -43.6 | 174.2 | -79.3 | -173.5 | 175.2 | -171.7 | 0 | 111.9 | K158 S159 K164 M165 F166 | K158-K162 WeakPolarHBondContact O-CG 3.31Å; K158-K162 PolarHBondContact O-N 3.07Å; S159-K162 PolarHBondContact O-N 3.33Å; K162-K164 PolarHBondContact O-N 2.97Å; K162-M165 HydrophobicContact CG-CE 4.31Å; K162-M165 PolarHBondContact O-N 3Å; K162-F166 PolarHBondContact O-N 2.91Å |
| 163 | Q | 82.8 | Confident | 80.7 | Confident | 126 Ų | 126 | 117.3 Ų | 117.3 | 59% | 0.589 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.2 | -40.8 | 178.6 | -164.4 | 174 | 6.1 | 0 | 0 | 111.9 | S159 A160 F166 Q167 | S159-Q163 PolarHBondContact O-N 3.4Å; A160-Q163 PolarHBondContact O-N 2.93Å; Q163-F166 PolarHBondContact O-N 3.03Å; Q163-Q167 WeakPolarHBondContact O-CG 3.44Å; Q163-Q167 PolarHBondContact O-N 3.32Å |
| 164 | K | 90.8 | Very high | 81.8 | Confident | 143 Ų | 143 | 120.2 Ų | 120.2 | 62% | 0.622 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.6 | -39.6 | 173.1 | -74.8 | -176.5 | 178.9 | -173.3 | 0 | 113 | A160 R161 K162 R168 | A160-K164 WeakPolarHBondContact O-CG 3.48Å; A160-K164 PolarHBondContact O-N 3.45Å; R161-K164 PolarHBondContact O-N 3.49Å; K162-K164 PolarHBondContact O-N 2.97Å; K164-R168 WeakPolarHBondContact O-CG 3.36Å; K164-R168 PolarHBondContact O-N 3.46Å |
| 165 | M | 91.6 | Very high | 83 | Confident | 107 Ų | 107 | 124 Ų | 124 | 53% | 0.527 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.9 | -39.8 | 175.5 | -72.3 | -173.8 | -65.3 | 0 | 0 | 111.7 | R161 K162 R168 A169 | R161-M165 HydrophobicContact CG-CE 4.31Å; R161-M165 WeakPolarHBondContact O-CG 3.14Å; R161-M165 PolarHBondContact O-N 3.23Å; K162-M165 HydrophobicContact CG-CE 4.31Å; K162-M165 PolarHBondContact O-N 3Å; M165-R168 PolarHBondContact O-N 2.9Å; M165-A169 WeakPolarHBondContact O-CB 3.37Å; M165-A169 PolarHBondContact O-N 3.15Å |
| 166 | F | 89.1 | Confident | 84.1 | Confident | 132 Ų | 132 | 125.1 Ų | 125.1 | 58% | 0.579 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.9 | -44.6 | 176.3 | -172.6 | -102.4 | 0 | 0 | 0 | 112.1 | K162 Q163 R168 A169 Q170 | K162-F166 PolarHBondContact O-N 2.91Å; Q163-F166 PolarHBondContact O-N 3.03Å; F166-R168 PolarHBondContact O-N 3.49Å; F166-A169 PolarHBondContact O-N 3.33Å; F166-Q170 HydrophobicContact CD1-CG 4.45Å; F166-Q170 HydrophobicContact CE1-CG 4.17Å; F166-Q170 HydrophobicContact CZ-CG 4.42Å; F166-Q170 WeakPolarHBondContact O-CG 3.43Å; F166-Q170 PolarHBondContact O-N 3.01Å |
| 167 | Q | 92.1 | Very high | 85 | Confident | 112 Ų | 112 | 121.4 Ų | 121.4 | 52% | 0.523 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.3 | -43.7 | 173.5 | -75.5 | 176.4 | -15.4 | 0 | 0 | 112 | Q163 A169 Q170 E171 | Q163-Q167 WeakPolarHBondContact O-CG 3.44Å; Q163-Q167 PolarHBondContact O-N 3.32Å; Q167-A169 PolarHBondContact O-N 3.47Å; Q167-Q170 PolarHBondContact O-N 3.38Å; Q167-E171 WeakPolarHBondContact O-CB 3.49Å; Q167-E171 PolarHBondContact O-N 2.98Å |
| 168 | R | 92.9 | Very high | 85.8 | Confident | 190 Ų | 190 | 115.6 Ų | 115.6 | 72% | 0.717 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 175.5 | -79 | -176.6 | 178 | -169.4 | -1.9 | 112.7 | K164 M165 F166 E171 L172 | K164-R168 WeakPolarHBondContact O-CG 3.36Å; K164-R168 PolarHBondContact O-N 3.46Å; M165-R168 PolarHBondContact O-N 2.9Å; F166-R168 PolarHBondContact O-N 3.49Å; R168-E171 PolarHBondContact O-N 2.86Å; R168-L172 WeakPolarHBondContact O-CG 3.46Å; R168-L172 PolarHBondContact O-N 2.92Å |
| 169 | A | 91.5 | Very high | 86.4 | Confident | 58 Ų | 58 | 116.4 Ų | 116.4 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M165 F166 Q167 L172 R173 | M165-A169 WeakPolarHBondContact O-CB 3.37Å; M165-A169 PolarHBondContact O-N 3.15Å; F166-A169 PolarHBondContact O-N 3.33Å; Q167-A169 PolarHBondContact O-N 3.47Å; A169-L172 PolarHBondContact O-N 3.41Å; A169-R173 WeakPolarHBondContact O-CB 3.45Å; A169-R173 PolarHBondContact O-N 3.26Å |
| 170 | Q | 92.5 | Very high | 86.4 | Confident | 90 Ų | 90 | 118.6 Ų | 118.6 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 174 | -75.4 | -173 | -28.3 | 0 | 0 | 112.4 | F166 Q167 R173 R174 | F166-Q170 HydrophobicContact CD1-CG 4.45Å; F166-Q170 HydrophobicContact CE1-CG 4.17Å; F166-Q170 HydrophobicContact CZ-CG 4.42Å; F166-Q170 WeakPolarHBondContact O-CG 3.43Å; F166-Q170 PolarHBondContact O-N 3.01Å; Q167-Q170 PolarHBondContact O-N 3.38Å; Q170-R173 WeakPolarHBondContact O-CB 3.32Å; Q170-R173 PolarHBondContact O-N 3Å; Q170-R174 WeakPolarHBondContact O-CG 3.3Å; Q170-R174 PolarHBondContact O-N 3.45Å |
| 171 | E | 92.8 | Very high | 86 | Confident | 76 Ų | 76 | 120.9 Ų | 120.9 | 36% | 0.355 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.3 | 178.6 | 61.8 | -166.2 | 0 | 0 | 111.9 | Q167 R168 R173 R174 R175 | Q167-E171 WeakPolarHBondContact O-CB 3.49Å; Q167-E171 PolarHBondContact O-N 2.98Å; R168-E171 PolarHBondContact O-N 2.86Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 3.25Å; E171-R174 PolarHBondContact O-N 2.9Å; E171-R175 WeakPolarHBondContact O-CG 3.49Å; E171-R175 PolarHBondContact O-N 2.76Å; E171-R175 IonicContact OE1-CZ 2.9Å; E171-R175 IonicContact OE1-NE 3.89Å; E171-R175 PolarHBondContact OE1-NE 3.47Å; E171-R175 IonicContact OE1-NH2 3.89Å; E171-R175 PolarHBondContact OE1-NH2 3.22Å |
| 172 | L | 93.1 | Very high | 85.5 | Confident | 114 Ų | 114 | 117.6 Ų | 117.6 | 60% | 0.597 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.3 | -39.8 | 174.5 | -73.4 | 171.8 | 0 | 0 | 0 | 111.8 | R168 A169 R175 A176 | R168-L172 WeakPolarHBondContact O-CG 3.46Å; R168-L172 PolarHBondContact O-N 2.92Å; A169-L172 PolarHBondContact O-N 3.41Å; L172-R175 PolarHBondContact O-N 3.25Å; L172-A176 WeakPolarHBondContact O-CB 3.46Å; L172-A176 PolarHBondContact O-N 3.02Å |
| 173 | R | 88.7 | Confident | 85.1 | Confident | 173 Ų | 173 | 116.7 Ų | 116.7 | 65% | 0.653 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.3 | -45.8 | 175.1 | -177.7 | 178 | 173.1 | 164.7 | 4 | 111.7 | A169 Q170 E171 R175 A176 E177 | A169-R173 WeakPolarHBondContact O-CB 3.45Å; A169-R173 PolarHBondContact O-N 3.26Å; Q170-R173 WeakPolarHBondContact O-CB 3.32Å; Q170-R173 PolarHBondContact O-N 3Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 3.25Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 2.94Å; R173-A176 PolarHBondContact O-N 3.28Å; R173-E177 WeakPolarHBondContact CG-OE1 3.44Å; R173-E177 IonicContact CZ-OE1 3.68Å; R173-E177 IonicContact NE-OE1 2.87Å; R173-E177 PolarHBondContact NE-OE1 3.09Å; R173-E177 IonicContact NH2-OE1 2.83Å; R173-E177 WeakPolarHBondContact O-CG 3.23Å; R173-E177 PolarHBondContact O-N 3.27Å |
| 174 | R | 88 | Confident | 84.3 | Confident | 157 Ų | 157 | 112.2 Ų | 112.2 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.1 | -44 | 176.1 | -73.8 | 178.6 | 178.6 | -179.7 | -1.7 | 111.8 | Q170 E171 A176 E177 D178 | Q170-R174 WeakPolarHBondContact O-CG 3.3Å; Q170-R174 PolarHBondContact O-N 3.45Å; E171-R174 PolarHBondContact O-N 2.9Å; R174-A176 PolarHBondContact O-N 3.39Å; R174-E177 PolarHBondContact O-N 3.05Å; R174-D178 WeakPolarHBondContact O-CB 3.43Å; R174-D178 VanDerWaalsContact O-CG 3.31Å; R174-D178 PolarHBondContact O-N 3.02Å |
| 175 | R | 87.4 | Confident | 83.5 | Confident | 152 Ų | 152 | 108.9 Ų | 108.9 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.7 | -39.7 | 175.8 | -71.3 | -179.8 | -167.6 | -179.9 | -0.4 | 113.1 | E171 L172 R173 D178 Y179 | E171-R175 WeakPolarHBondContact O-CG 3.49Å; E171-R175 PolarHBondContact O-N 2.76Å; E171-R175 IonicContact OE1-CZ 2.9Å; E171-R175 IonicContact OE1-NE 3.89Å; E171-R175 PolarHBondContact OE1-NE 3.47Å; E171-R175 IonicContact OE1-NH2 3.89Å; E171-R175 PolarHBondContact OE1-NH2 3.22Å; L172-R175 PolarHBondContact O-N 3.25Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 2.94Å; R175-D178 PolarHBondContact O-N 2.91Å; R175-Y179 VanDerWaalsContact O-CB 3.29Å; R175-Y179 WeakPolarHBondContact O-CB 3.39Å; R175-Y179 PolarHBondContact O-N 3.21Å |
| 176 | A | 84.8 | Confident | 82.4 | Confident | 60 Ų | 60 | 108.8 Ų | 108.8 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L172 R173 R174 Y179 H180 | L172-A176 WeakPolarHBondContact O-CB 3.46Å; L172-A176 PolarHBondContact O-N 3.02Å; R173-A176 PolarHBondContact O-N 3.28Å; R174-A176 PolarHBondContact O-N 3.39Å; A176-Y179 PolarHBondContact O-N 3.46Å; A176-H180 WeakPolarHBondContact O-CB 3.44Å; A176-H180 PolarHBondContact O-N 3.08Å |
| 177 | E | 82.5 | Confident | 81.4 | Confident | 83 Ų | 83 | 106.7 Ų | 106.7 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 174.9 | -73.1 | 172.9 | -166.2 | 0 | 0 | 111.5 | R173 R174 H180 K181 | R173-E177 WeakPolarHBondContact CG-OE1 3.44Å; R173-E177 IonicContact CZ-OE1 3.68Å; R173-E177 IonicContact NE-OE1 2.87Å; R173-E177 PolarHBondContact NE-OE1 3.09Å; R173-E177 IonicContact NH2-OE1 2.83Å; R173-E177 WeakPolarHBondContact O-CG 3.23Å; R173-E177 PolarHBondContact O-N 3.27Å; R174-E177 PolarHBondContact O-N 3.05Å; E177-H180 PolarHBondContact O-N 2.8Å; E177-K181 VanDerWaalsContact O-CG 3.32Å; E177-K181 WeakPolarHBondContact O-CG 3.36Å; E177-K181 PolarHBondContact O-N 2.9Å |
| 178 | D | 84.1 | Confident | 80.2 | Confident | 78 Ų | 78 | 103.1 Ų | 103.1 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.5 | -37.7 | 178.2 | -68.4 | -22.6 | 0 | 0 | 0 | 112.2 | R174 R175 H180 K181 C182 | R174-D178 WeakPolarHBondContact O-CB 3.43Å; R174-D178 VanDerWaalsContact O-CG 3.31Å; R174-D178 PolarHBondContact O-N 3.02Å; R175-D178 PolarHBondContact O-N 2.91Å; D178-H180 VanDerWaalsContact C-N 3.32Å; D178-H180 PolarHBondContact O-N 3.09Å; D178-K181 WeakPolarHBondContact O-CB 3.43Å; D178-K181 PolarHBondContact O-N 2.93Å; D178-K181 IonicContact OD1-NZ 3.28Å; D178-K181 PolarHBondContact OD1-NZ 3.37Å; D178-C182 PolarHBondContact O-N 3.47Å; D178-C182 PolarHBondContact O-SG 2.94Å |
| 179 | Y | 76.6 | Confident | 79.1 | Confident | 144 Ų | 144 | 98.9 Ų | 98.9 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.9 | -42.1 | 171 | -176.7 | -101.5 | 0 | 0 | 0 | 112 | R175 A176 C182 K183 | R175-Y179 VanDerWaalsContact O-CB 3.29Å; R175-Y179 WeakPolarHBondContact O-CB 3.39Å; R175-Y179 PolarHBondContact O-N 3.21Å; A176-Y179 PolarHBondContact O-N 3.46Å; Y179-C182 PolarHBondContact O-N 3.44Å; Y179-K183 HydrophobicContact CD1-CD 4.2Å; Y179-K183 HydrophobicContact CE1-CD 3.54Å; Y179-K183 HydrophobicContact CE1-CG 4.36Å; Y179-K183 PolarHBondContact O-N 3.02Å; Y179-K183 WeakPolarHBondContact OH-CE 3.45Å; Y179-K183 PolarHBondContact OH-NZ 3.26Å |
| 180 | H | 71.6 | Confident | 78.1 | Confident | 113 Ų | 113 | 103.6 Ų | 103.6 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 176.1 | -169.1 | 70.4 | 0 | 0 | 0 | 112.2 | A176 E177 D178 K183 I184 | A176-H180 WeakPolarHBondContact O-CB 3.44Å; A176-H180 PolarHBondContact O-N 3.08Å; E177-H180 PolarHBondContact O-N 2.8Å; D178-H180 VanDerWaalsContact C-N 3.32Å; D178-H180 PolarHBondContact O-N 3.09Å; H180-K183 PolarHBondContact O-N 2.95Å; H180-I184 WeakPolarHBondContact CE1-CD1 3.49Å; H180-I184 VanDerWaalsContact NE2-CD1 3.3Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.44Å; H180-I184 PolarHBondContact O-N 3.48Å; H180-I184 VanDerWaalsContact O-N 3.15Å |
| 181 | K | 69.9 | Low | 77.1 | Confident | 93 Ų | 93 | 102.2 Ų | 102.2 | 40% | 0.404 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 171.9 | -71.4 | 172.4 | -160.1 | 156.6 | 0 | 110.8 | E177 D178 K183 I184 R189 | E177-K181 VanDerWaalsContact O-CG 3.32Å; E177-K181 WeakPolarHBondContact O-CG 3.36Å; E177-K181 PolarHBondContact O-N 2.9Å; D178-K181 WeakPolarHBondContact O-CB 3.43Å; D178-K181 PolarHBondContact O-N 2.93Å; D178-K181 IonicContact OD1-NZ 3.28Å; D178-K181 PolarHBondContact OD1-NZ 3.37Å; K181-K183 VanDerWaalsContact C-N 3.3Å; K181-K183 PolarHBondContact O-N 3.3Å; K181-I184 PolarHBondContact O-N 3.33Å; K181-I184 VanDerWaalsContact O-O 3.1Å; K181-R189 VanDerWaalsContact CA-NH2 3.31Å; K181-R189 PolarHBondContact O-NH2 2.89Å |
| 182 | C | 70.6 | Confident | 76 | Confident | 114 Ų | 114 | 103.3 Ų | 103.3 | 77% | 0.77 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.6 | -28.1 | -178.7 | -66 | 0 | 0 | 0 | 0 | 113.3 | D178 Y179 | D178-C182 PolarHBondContact O-N 3.47Å; D178-C182 PolarHBondContact O-SG 2.94Å; Y179-C182 PolarHBondContact O-N 3.44Å |
| 183 | K | 72.9 | Confident | 74.9 | Confident | 135 Ų | 135 | 101.6 Ų | 101.6 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -80.2 | -27.3 | 177.6 | -87.7 | -168.6 | 163 | -177.8 | 0 | 114.9 | Y179 H180 K181 | Y179-K183 HydrophobicContact CD1-CD 4.2Å; Y179-K183 HydrophobicContact CE1-CD 3.54Å; Y179-K183 HydrophobicContact CE1-CG 4.36Å; Y179-K183 PolarHBondContact O-N 3.02Å; Y179-K183 WeakPolarHBondContact OH-CE 3.45Å; Y179-K183 PolarHBondContact OH-NZ 3.26Å; H180-K183 PolarHBondContact O-N 2.95Å; K181-K183 VanDerWaalsContact C-N 3.3Å; K181-K183 PolarHBondContact O-N 3.3Å |
| 184 | I | 67.6 | Low | 74.2 | Confident | 33 Ų | 33 | 97.8 Ų | 97.8 | 17% | 0.169 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -103.5 | 114.8 | -178.5 | -54.8 | -172.6 | 0 | 0 | 0 | 109.9 | H180 K181 A188 R189 | H180-I184 WeakPolarHBondContact CE1-CD1 3.49Å; H180-I184 VanDerWaalsContact NE2-CD1 3.3Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.44Å; H180-I184 PolarHBondContact O-N 3.48Å; H180-I184 VanDerWaalsContact O-N 3.15Å; K181-I184 PolarHBondContact O-N 3.33Å; K181-I184 VanDerWaalsContact O-O 3.1Å; I184-A188 HydrophobicContact CG2-CB 3.69Å; I184-R189 HydrophobicContact CB-CG 4.01Å; I184-R189 HydrophobicContact CG2-CB 4.49Å; I184-R189 HydrophobicContact CG2-CG 3.49Å; I184-R189 VanDerWaalsContact CG2-CG 3.49Å; I184-R189 PolarHBondContact O-NE 3.39Å; I184-R189 VanDerWaalsContact O-NE 3.15Å; I184-R189 PolarHBondContact O-NH2 3.01Å |
| 185 | P | 73.9 | Confident | 73.5 | Confident | 73 Ų | 73 | 98.9 Ų | 98.9 | 47% | 0.474 | 51% | 0.513 | S | S | . | . | trans | -59.2 | 145.9 | 176.4 | 21.4 | -28.9 | 0 | 0 | 0 | 110.4 | S187 A188 R189 | P185-S187 PolarHBondContact O-N 3.34Å; P185-A188 HydrophobicContact CG-CB 3.91Å; P185-A188 PolarHBondContact O-N 3.06Å; P185-R189 PolarHBondContact O-N 2.82Å | ||
| 186 | P | 68.6 | Low | 72.9 | Confident | 104 Ų | 104 | 95.3 Ų | 95.3 | 68% | 0.675 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -52.9 | -32.9 | -175.3 | -27.6 | 34.2 | 0 | 0 | 0 | 114.3 | R189 K190 | P186-R189 PolarHBondContact O-N 2.96Å; P186-K190 PolarHBondContact O-N 2.87Å |
| 187 | S | 67.8 | Low | 72.3 | Confident | 88 Ų | 88 | 101.7 Ų | 101.7 | 62% | 0.615 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 175.8 | 52.4 | 0 | 0 | 0 | 0 | 113 | P185 R189 K190 A191 | P185-S187 PolarHBondContact O-N 3.34Å; S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact O-N 2.89Å; S187-K190 WeakPolarHBondContact O-CB 3.3Å; S187-K190 PolarHBondContact O-N 3.32Å; S187-A191 PolarHBondContact O-N 2.99Å |
| 188 | A | 67.5 | Low | 71.6 | Confident | 38 Ų | 38 | 103.6 Ų | 103.6 | 31% | 0.314 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.7 | -30.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I184 P185 K190 A191 L192 | I184-A188 HydrophobicContact CG2-CB 3.69Å; P185-A188 HydrophobicContact CG-CB 3.91Å; P185-A188 PolarHBondContact O-N 3.06Å; A188-K190 VanDerWaalsContact C-N 3.33Å; A188-K190 PolarHBondContact O-N 3.45Å; A188-A191 PolarHBondContact O-N 3.33Å; A188-L192 WeakPolarHBondContact O-CB 3.5Å; A188-L192 PolarHBondContact O-N 3Å |
| 189 | R | 68.4 | Low | 70.7 | Confident | 100 Ų | 100 | 101.7 Ų | 101.7 | 38% | 0.377 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 172.5 | -60.5 | -169.9 | -151.8 | 160 | 12.2 | 112.1 | K181 I184 P185 P186 S187 L192 C193 | K181-R189 VanDerWaalsContact CA-NH2 3.31Å; K181-R189 PolarHBondContact O-NH2 2.89Å; I184-R189 HydrophobicContact CB-CG 4.01Å; I184-R189 HydrophobicContact CG2-CB 4.49Å; I184-R189 HydrophobicContact CG2-CG 3.49Å; I184-R189 VanDerWaalsContact CG2-CG 3.49Å; I184-R189 PolarHBondContact O-NE 3.39Å; I184-R189 VanDerWaalsContact O-NE 3.15Å; I184-R189 PolarHBondContact O-NH2 3.01Å; P185-R189 PolarHBondContact O-N 2.82Å; P186-R189 PolarHBondContact O-N 2.96Å; S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact O-N 2.89Å; R189-L192 PolarHBondContact O-N 3.25Å; R189-C193 WeakPolarHBondContact O-CB 3.33Å; R189-C193 PolarHBondContact O-N 3.46Å; R189-C193 PolarHBondContact O-SG 3.22Å; R189-C193 VanDerWaalsContact O-SG 3.41Å |
| 190 | K | 70.3 | Confident | 70 | Confident | 157 Ų | 157 | 97 Ų | 97 | 68% | 0.683 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 178.9 | -140.7 | 177.2 | -173.1 | -177.8 | 0 | 110.9 | P186 S187 A188 N194 | P186-K190 PolarHBondContact O-N 2.87Å; S187-K190 WeakPolarHBondContact O-CB 3.3Å; S187-K190 PolarHBondContact O-N 3.32Å; A188-K190 VanDerWaalsContact C-N 3.33Å; A188-K190 PolarHBondContact O-N 3.45Å; K190-N194 WeakPolarHBondContact O-CB 3.38Å; K190-N194 PolarHBondContact O-N 2.93Å; K190-N194 PolarHBondContact O-ND2 3.42Å |
| 191 | A | 71.6 | Confident | 69.6 | Low | 62 Ų | 62 | 93.4 Ų | 93.4 | 51% | 0.512 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S187 A188 N194 W195 | S187-A191 PolarHBondContact O-N 2.99Å; A188-A191 PolarHBondContact O-N 3.33Å; A191-N194 PolarHBondContact O-N 3.32Å; A191-W195 WeakPolarHBondContact O-CB 3.38Å; A191-W195 PolarHBondContact O-N 2.99Å |
| 192 | L | 70.1 | Confident | 69 | Low | 98 Ų | 98 | 95.6 Ų | 95.6 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 179.7 | -148.9 | 120.8 | 0 | 0 | 0 | 112.3 | A188 R189 W195 V196 | A188-L192 WeakPolarHBondContact O-CB 3.5Å; A188-L192 PolarHBondContact O-N 3Å; R189-L192 PolarHBondContact O-N 3.25Å; L192-W195 PolarHBondContact O-N 3.47Å; L192-V196 WeakPolarHBondContact O-CB 3.44Å; L192-V196 VanDerWaalsContact O-CG2 3.3Å; L192-V196 WeakPolarHBondContact O-CG2 3.38Å; L192-V196 PolarHBondContact O-N 3.37Å |
| 193 | C | 69.1 | Low | 68.2 | Low | 78 Ų | 78 | 97.2 Ų | 97.2 | 53% | 0.527 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 173.5 | -77.5 | 0 | 0 | 0 | 0 | 112.5 | R189 R197 | R189-C193 WeakPolarHBondContact O-CB 3.33Å; R189-C193 PolarHBondContact O-N 3.46Å; R189-C193 PolarHBondContact O-SG 3.22Å; R189-C193 VanDerWaalsContact O-SG 3.41Å; C193-R197 WeakPolarHBondContact O-CB 3.49Å; C193-R197 WeakPolarHBondContact O-CG 3.45Å; C193-R197 PolarHBondContact O-N 2.96Å |
| 194 | N | 75.3 | Confident | 67.2 | Low | 93 Ų | 93 | 99.4 Ų | 99.4 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 175.2 | -74.1 | -9.9 | 0 | 0 | 0 | 111.2 | K190 A191 R197 M198 | K190-N194 WeakPolarHBondContact O-CB 3.38Å; K190-N194 PolarHBondContact O-N 2.93Å; K190-N194 PolarHBondContact O-ND2 3.42Å; A191-N194 PolarHBondContact O-N 3.32Å; N194-R197 PolarHBondContact O-N 3.26Å; N194-M198 WeakPolarHBondContact O-CB 3.35Å; N194-M198 WeakPolarHBondContact O-CG 3.46Å; N194-M198 PolarHBondContact O-N 2.96Å |
| 195 | W | 73.9 | Confident | 66.5 | Low | 180 Ų | 180 | 105.7 Ų | 105.7 | 68% | 0.682 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.2 | -44.8 | 175.7 | -177.2 | 73 | 0 | 0 | 0 | 112.4 | A191 L192 R197 M198 A199 | A191-W195 WeakPolarHBondContact O-CB 3.38Å; A191-W195 PolarHBondContact O-N 2.99Å; L192-W195 PolarHBondContact O-N 3.47Å; W195-R197 VanDerWaalsContact C-N 3.3Å; W195-R197 PolarHBondContact O-N 2.96Å; W195-M198 PolarHBondContact O-N 3.48Å; W195-A199 WeakPolarHBondContact O-CB 3.43Å; W195-A199 PolarHBondContact O-N 2.93Å |
| 196 | V | 73.9 | Confident | 65.5 | Low | 78 Ų | 78 | 107.5 Ų | 107.5 | 47% | 0.473 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62 | -37.7 | 174.2 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | L192 A200 | L192-V196 WeakPolarHBondContact O-CB 3.44Å; L192-V196 VanDerWaalsContact O-CG2 3.3Å; L192-V196 WeakPolarHBondContact O-CG2 3.38Å; L192-V196 PolarHBondContact O-N 3.37Å; V196-A200 VanDerWaalsContact O-CB 3.23Å; V196-A200 WeakPolarHBondContact O-CB 3.47Å; V196-A200 PolarHBondContact O-N 3.36Å |
| 197 | R | 71.7 | Confident | 64.9 | Low | 193 Ų | 193 | 105.4 Ų | 105.4 | 73% | 0.728 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.1 | -42.7 | 174.1 | -86.4 | -178 | 152.6 | 178.9 | -6.5 | 112.6 | C193 N194 W195 A200 A201 | C193-R197 WeakPolarHBondContact O-CB 3.49Å; C193-R197 WeakPolarHBondContact O-CG 3.45Å; C193-R197 PolarHBondContact O-N 2.96Å; N194-R197 PolarHBondContact O-N 3.26Å; W195-R197 VanDerWaalsContact C-N 3.3Å; W195-R197 PolarHBondContact O-N 2.96Å; R197-A200 PolarHBondContact O-N 2.87Å; R197-A201 WeakPolarHBondContact O-CB 3.4Å; R197-A201 PolarHBondContact O-N 3.4Å |
| 198 | M | 68.9 | Low | 64.4 | Low | 124 Ų | 124 | 104.7 Ų | 104.7 | 61% | 0.611 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.1 | -48.4 | 176 | -77.3 | -63.8 | -56.8 | 0 | 0 | 111.1 | N194 W195 A200 A201 E202 | N194-M198 WeakPolarHBondContact O-CB 3.35Å; N194-M198 WeakPolarHBondContact O-CG 3.46Å; N194-M198 PolarHBondContact O-N 2.96Å; W195-M198 PolarHBondContact O-N 3.48Å; M198-A200 VanDerWaalsContact C-N 3.31Å; M198-A200 PolarHBondContact O-N 2.91Å; M198-A201 CarbonylContact O-C 3.59Å; M198-A201 WeakPolarHBondContact O-CB 3.37Å; M198-A201 PolarHBondContact O-N 2.93Å; M198-A201 VanDerWaalsContact O-N 3.09Å; M198-E202 VanDerWaalsContact O-CB 3.32Å; M198-E202 WeakPolarHBondContact O-CB 3.36Å; M198-E202 PolarHBondContact O-N 3.44Å |
| 199 | A | 65 | Low | 63.6 | Low | 38 Ų | 38 | 109.6 Ų | 109.6 | 31% | 0.314 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.1 | -39.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | W195 E202 H203 | W195-A199 WeakPolarHBondContact O-CB 3.43Å; W195-A199 PolarHBondContact O-N 2.93Å; A199-E202 PolarHBondContact O-N 3.2Å; A199-H203 VanDerWaalsContact O-CB 3.3Å; A199-H203 WeakPolarHBondContact O-CB 3.3Å; A199-H203 PolarHBondContact O-N 3.41Å |
| 200 | A | 61.5 | Low | 62.6 | Low | 45 Ų | 45 | 109.8 Ų | 109.8 | 37% | 0.372 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.1 | -32.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V196 R197 M198 R204 | V196-A200 VanDerWaalsContact O-CB 3.23Å; V196-A200 WeakPolarHBondContact O-CB 3.47Å; V196-A200 PolarHBondContact O-N 3.36Å; R197-A200 PolarHBondContact O-N 2.87Å; M198-A200 VanDerWaalsContact C-N 3.31Å; M198-A200 PolarHBondContact O-N 2.91Å; A200-R204 WeakPolarHBondContact O-CB 3.46Å; A200-R204 WeakPolarHBondContact O-CD 3.49Å; A200-R204 WeakPolarHBondContact O-CG 3.29Å; A200-R204 PolarHBondContact O-N 3.25Å |
| 201 | A | 63.2 | Low | 61.4 | Low | 37 Ų | 37 | 111.8 Ų | 111.8 | 31% | 0.306 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.4 | -42.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R197 M198 R204 H205 | R197-A201 WeakPolarHBondContact O-CB 3.4Å; R197-A201 PolarHBondContact O-N 3.4Å; M198-A201 CarbonylContact O-C 3.59Å; M198-A201 WeakPolarHBondContact O-CB 3.37Å; M198-A201 PolarHBondContact O-N 2.93Å; M198-A201 VanDerWaalsContact O-N 3.09Å; A201-R204 WeakPolarHBondContact O-CA 3.24Å; A201-R204 WeakPolarHBondContact O-CB 3.45Å; A201-R204 PolarHBondContact O-N 2.98Å; A201-R204 VanDerWaalsContact O-N 3.09Å; A201-H205 PolarHBondContact O-CD2 3.45Å; A201-H205 PolarHBondContact O-N 3.44Å |
| 202 | E | 57.4 | Low | 60.1 | Low | 139 Ų | 139 | 119.7 Ų | 119.7 | 65% | 0.65 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.5 | -43.2 | 178.2 | -166.5 | 168.6 | -167.1 | 0 | 0 | 111.8 | M198 A199 R204 H205 S206 | M198-E202 VanDerWaalsContact O-CB 3.32Å; M198-E202 WeakPolarHBondContact O-CB 3.36Å; M198-E202 PolarHBondContact O-N 3.44Å; A199-E202 PolarHBondContact O-N 3.2Å; E202-R204 PolarHBondContact O-N 3.44Å; E202-H205 PolarHBondContact O-N 2.88Å; E202-S206 PolarHBondContact O-N 3.39Å |
| 203 | H | 54.1 | Low | 59.2 | Low | 149 Ų | 149 | 118.4 Ų | 118.4 | 69% | 0.69 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66 | -22.3 | 173.2 | -144.2 | -61.7 | 0 | 0 | 0 | 113.2 | A199 S207 | A199-H203 VanDerWaalsContact O-CB 3.3Å; A199-H203 WeakPolarHBondContact O-CB 3.3Å; A199-H203 PolarHBondContact O-N 3.41Å; H203-S207 PolarHBondContact O-OG 3.47Å |
| 204 | R | 50.8 | Low | 58.2 | Low | 181 Ų | 181 | 125 Ų | 125 | 68% | 0.683 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -83.4 | -30.6 | 175 | -78.7 | 173.3 | -178.9 | -175.6 | -0.2 | 113.3 | A200 A201 E202 S206 S207 | A200-R204 WeakPolarHBondContact O-CB 3.46Å; A200-R204 WeakPolarHBondContact O-CD 3.49Å; A200-R204 WeakPolarHBondContact O-CG 3.29Å; A200-R204 PolarHBondContact O-N 3.25Å; A201-R204 WeakPolarHBondContact O-CA 3.24Å; A201-R204 WeakPolarHBondContact O-CB 3.45Å; A201-R204 PolarHBondContact O-N 2.98Å; A201-R204 VanDerWaalsContact O-N 3.09Å; E202-R204 PolarHBondContact O-N 3.44Å; R204-S206 VanDerWaalsContact C-N 3.34Å; R204-S207 WeakPolarHBondContact CA-OG 3.32Å; R204-S207 PolarHBondContact O-OG 2.94Å |
| 205 | H | 52.4 | Low | 57 | Low | 165 Ų | 165 | 124.7 Ų | 124.7 | 76% | 0.764 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.9 | -26.7 | 173.5 | -70.6 | -62.5 | 0 | 0 | 0 | 112.6 | A201 E202 | A201-H205 PolarHBondContact O-CD2 3.45Å; A201-H205 PolarHBondContact O-N 3.44Å; E202-H205 PolarHBondContact O-N 2.88Å |
| 206 | S | 53.7 | Low | 56.1 | Low | 110 Ų | 110 | 120.4 Ų | 120.4 | 77% | 0.769 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -83.8 | -13.6 | 177.3 | -157.9 | 0 | 0 | 0 | 0 | 114.2 | E202 R204 | E202-S206 PolarHBondContact O-N 3.39Å; R204-S206 VanDerWaalsContact C-N 3.34Å |
| 207 | S | 57 | Low | 55.1 | Low | 60 Ų | 60 | 120.5 Ų | 120.5 | 42% | 0.42 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -96.9 | -4.1 | -175 | 44.8 | 0 | 0 | 0 | 0 | 115.7 | H203 R204 L209 | H203-S207 PolarHBondContact O-OG 3.47Å; R204-S207 WeakPolarHBondContact CA-OG 3.32Å; R204-S207 PolarHBondContact O-OG 2.94Å; S207-L209 PolarHBondContact O-N 3.22Å |
| 208 | G | 56.2 | Low | 54.3 | Low | 73 Ų | 73 | 117.4 Ų | 117.4 | 75% | 0.753 | 62% | 0.618 | S | S | * | * | trans | 60.5 | 12.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 209 | L | 51.4 | Low | 53.5 | Low | 141 Ų | 141 | 114 Ų | 114 | 74% | 0.738 | 60% | 0.604 | S | S | * | * | trans | -83.8 | 132.3 | -177 | -79 | 166.4 | 0 | 0 | 0 | 111.3 | S207 | S207-L209 PolarHBondContact O-N 3.22Š| ||
| 210 | P | 46.5 | Very low | 53.1 | Low | 105 Ų | 105 | 116.2 Ų | 116.2 | 68% | 0.682 | 61% | 0.61 | S | S | * | * | trans | -64.1 | 137.6 | 179.7 | 23.5 | -30.7 | 0 | 0 | 0 | 111.5 | W212 | P210-W212 PolarHBondContact O-N 3.39Å; P210-W212 VanDerWaalsContact O-N 3.1Å | ||
| 211 | Y | 45.2 | Very low | 52.9 | Low | 199 Ų | 199 | 121.2 Ų | 121.2 | 78% | 0.78 | 62% | 0.623 | S | S | * | * | trans | -56.6 | 108.1 | 180 | 174.1 | -102.6 | 0 | 0 | 0 | 111.7 | P213 | Y211-P213 HydrophobicContact CD1-CG 4.38Å; Y211-P213 HydrophobicContact CE1-CB 3.73Å; Y211-P213 HydrophobicContact CE1-CG 3.76Å | ||
| 212 | W | 45.2 | Very low | 52.7 | Low | 227 Ų | 227 | 124.4 Ų | 124.4 | 86% | 0.86 | 64% | 0.635 | S | S | * | * | trans | -97.7 | 112.2 | 157 | -88.4 | 88.6 | 0 | 0 | 0 | 108 | P210 Y214 | P210-W212 PolarHBondContact O-N 3.39Å; P210-W212 VanDerWaalsContact O-N 3.1Å; W212-Y214 PolarHBondContact O-N 2.88Å | ||
| 213 | P | 50.8 | Low | 52.7 | Low | 71 Ų | 71 | 126.8 Ų | 126.8 | 46% | 0.461 | 64% | 0.638 | S | S | . | * | trans | -60.7 | 115.5 | 175.4 | 16.3 | -19.5 | 0 | 0 | 0 | 108.1 | Y211 L215 | Y211-P213 HydrophobicContact CD1-CG 4.38Å; Y211-P213 HydrophobicContact CE1-CB 3.73Å; Y211-P213 HydrophobicContact CE1-CG 3.76Å; P213-L215 PolarHBondContact O-N 2.87Å | ||
| 214 | Y | 47.8 | Very low | 52.7 | Low | 216 Ų | 216 | 126.7 Ų | 126.7 | 85% | 0.847 | 64% | 0.64 | S | S | * | * | trans | -52.9 | 109.5 | 162.6 | -133.1 | -95 | 0 | 0 | 0 | 105.7 | W212 T216 | W212-Y214 PolarHBondContact O-N 2.88Å; Y214-T216 PolarHBondContact O-N 2.93Å | ||
| 215 | L | 49.7 | Very low | 52.8 | Low | 87 Ų | 87 | 121 Ų | 121 | 46% | 0.455 | 64% | 0.637 | S | S | . | * | trans | -50.2 | 109.1 | 173.1 | -82.7 | 157.1 | 0 | 0 | 0 | 107 | P213 A217 T219 | P213-L215 PolarHBondContact O-N 2.87Å; L215-A217 PolarHBondContact O-N 2.94Å; L215-T219 HydrophobicContact CD2-CG2 3.67Å | ||
| 216 | T | 56.2 | Low | 53.1 | Low | 91 Ų | 91 | 120.6 Ų | 120.6 | 56% | 0.558 | 64% | 0.636 | S | S | * | * | trans | -53 | 141.8 | 177.5 | -29.7 | 0 | 0 | 0 | 0 | 107.5 | Y214 E218 T219 L220 | Y214-T216 PolarHBondContact O-N 2.93Å; T216-E218 PolarHBondContact O-N 3.15Å; T216-T219 PolarHBondContact N-OG1 3.46Å; T216-T219 WeakPolarHBondContact O-CA 3.48Å; T216-T219 WeakPolarHBondContact O-CB 3.03Å; T216-T219 PolarHBondContact O-N 2.94Å; T216-T219 PolarHBondContact O-OG1 3.4Å; T216-L220 PolarHBondContact O-N 3.39Å | ||
| 217 | A | 53.1 | Low | 53.3 | Low | 79 Ų | 79 | 124 Ų | 124 | 65% | 0.653 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -51.9 | -28.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L215 L220 K221 | L215-A217 PolarHBondContact O-N 2.94Å; A217-L220 PolarHBondContact O-N 3.02Å; A217-K221 VanDerWaalsContact O-CB 3.31Å; A217-K221 WeakPolarHBondContact O-CB 3.49Å; A217-K221 PolarHBondContact O-N 3.48Å |
| 218 | E | 53.6 | Low | 53.4 | Low | 129 Ų | 129 | 126.3 Ų | 126.3 | 60% | 0.603 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -52.2 | -49.2 | 167.6 | -131.2 | 83.6 | -142.4 | 0 | 0 | 113.3 | T216 K221 N222 | T216-E218 PolarHBondContact O-N 3.15Å; E218-K221 PolarHBondContact O-N 3.44Å; E218-N222 VanDerWaalsContact O-CG 3.26Å; E218-N222 PolarHBondContact O-N 3.34Å; E218-N222 PolarHBondContact O-ND2 2.97Å |
| 219 | T | 53 | Low | 53.6 | Low | 53 Ų | 53 | 128.4 Ų | 128.4 | 33% | 0.325 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -68.8 | -35.7 | -178.6 | -20.2 | 0 | 0 | 0 | 0 | 112.1 | L215 T216 R223 | L215-T219 HydrophobicContact CD2-CG2 3.67Å; T216-T219 PolarHBondContact N-OG1 3.46Å; T216-T219 WeakPolarHBondContact O-CA 3.48Å; T216-T219 WeakPolarHBondContact O-CB 3.03Å; T216-T219 PolarHBondContact O-N 2.94Å; T216-T219 PolarHBondContact O-OG1 3.4Å; T219-R223 PolarHBondContact O-N 3.46Å |
| 220 | L | 56.2 | Low | 54.2 | Low | 84 Ų | 84 | 127 Ų | 127 | 44% | 0.44 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -71.1 | -37.1 | 175.5 | -118.9 | 154.2 | 0 | 0 | 0 | 111.3 | T216 A217 R223 M224 | T216-L220 PolarHBondContact O-N 3.39Å; A217-L220 PolarHBondContact O-N 3.02Å; L220-R223 PolarHBondContact O-N 3.04Å; L220-M224 HydrophobicContact CD2-CE 3.23Å; L220-M224 HydrophobicContact CG-CE 4.48Å; L220-M224 PolarHBondContact O-N 3.15Å; L220-M224 VanDerWaalsContact O-N 3.09Å |
| 221 | K | 56.7 | Low | 54.3 | Low | 149 Ų | 149 | 127.9 Ų | 127.9 | 65% | 0.648 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.7 | -40.8 | 175 | -171.6 | -177.8 | 168.8 | -169.3 | 0 | 112.1 | A217 E218 R223 M224 G225 | A217-K221 VanDerWaalsContact O-CB 3.31Å; A217-K221 WeakPolarHBondContact O-CB 3.49Å; A217-K221 PolarHBondContact O-N 3.48Å; E218-K221 PolarHBondContact O-N 3.44Å; K221-R223 VanDerWaalsContact C-N 3.31Å; K221-R223 PolarHBondContact O-N 3.48Å; K221-M224 PolarHBondContact O-N 3.25Å; K221-G225 PolarHBondContact O-N 3.34Å |
| 222 | N | 59.3 | Low | 54.8 | Low | 105 Ų | 105 | 124.9 Ų | 124.9 | 56% | 0.561 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.1 | -30.6 | 176.7 | -68.8 | -17.3 | 0 | 0 | 0 | 112.7 | E218 H226 | E218-N222 VanDerWaalsContact O-CG 3.26Å; E218-N222 PolarHBondContact O-N 3.34Å; E218-N222 PolarHBondContact O-ND2 2.97Å; N222-H226 PolarHBondContact O-ND1 3.42Å; N222-H226 VanDerWaalsContact O-ND1 3.09Å |
| 223 | R | 57.1 | Low | 54.8 | Low | 189 Ų | 189 | 122.2 Ų | 122.2 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.6 | -31 | 173.2 | -77.2 | -173.6 | 176.6 | -171.4 | -0.3 | 114 | T219 L220 K221 | T219-R223 PolarHBondContact O-N 3.46Å; L220-R223 PolarHBondContact O-N 3.04Å; K221-R223 VanDerWaalsContact C-N 3.31Å; K221-R223 PolarHBondContact O-N 3.48Å |
| 224 | M | 55.3 | Low | 54.9 | Low | 147 Ų | 147 | 127.8 Ų | 127.8 | 72% | 0.724 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -80.1 | -18.1 | 174.9 | -79.9 | -173.9 | -121.9 | 0 | 0 | 113.8 | L220 K221 | L220-M224 HydrophobicContact CD2-CE 3.23Å; L220-M224 HydrophobicContact CG-CE 4.48Å; L220-M224 PolarHBondContact O-N 3.15Å; L220-M224 VanDerWaalsContact O-N 3.09Å; K221-M224 PolarHBondContact O-N 3.25Å |
| 225 | G | 53.3 | Low | 54.7 | Low | 61 Ų | 61 | 125.9 Ų | 125.9 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -82.9 | -8.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K221 Q227 | K221-G225 PolarHBondContact O-N 3.34Å; G225-Q227 PolarHBondContact O-N 2.63Å |
| 226 | H | 57.5 | Low | 54.8 | Low | 157 Ų | 157 | 130.6 Ų | 130.6 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | -88.6 | 108.7 | 175.4 | -75.1 | 53.1 | 0 | 0 | 0 | 109 | N222 | N222-H226 PolarHBondContact O-ND1 3.42Å; N222-H226 VanDerWaalsContact O-ND1 3.09Å | ||
| 227 | Q | 58.2 | Low | 54.7 | Low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 140 | 164.1 | -81.8 | -163.8 | -5.2 | 0 | 0 | 109 | G225 | G225-Q227 PolarHBondContact O-N 2.63Š|
| 228 | P | 59.2 | Low | 54.8 | Low | 110 Ų | 110 | 135.4 Ų | 135.4 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 141.9 | 168.3 | 25.6 | -31.3 | 0 | 0 | 0 | 109 | ||
| 229 | P | 61.5 | Low | 54.9 | Low | 117 Ų | 117 | 135.8 Ų | 135.8 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 142.6 | 177.1 | 24.1 | -32.4 | 0 | 0 | 0 | 109.7 | ||
| 230 | P | 62.3 | Low | 55 | Low | 111 Ų | 111 | 140.6 Ų | 140.6 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 144.4 | -178.7 | 23.8 | -32.2 | 0 | 0 | 0 | 110.4 | T232 | P230-T232 PolarHBondContact O-N 3.24Š|
| 231 | P | 48.8 | Very low | 54.9 | Low | 124 Ų | 124 | 144.2 Ų | 144.2 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 123.7 | -178.4 | 24.2 | -32.1 | 0 | 0 | 0 | 109.4 | Q233 | P231-Q233 PolarHBondContact O-N 2.9Å; P231-Q233 VanDerWaalsContact O-N 3.15Å |
| 232 | T | 55.3 | Low | 54.8 | Low | 135 Ų | 135 | 143.9 Ų | 143.9 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 116.8 | 174.3 | -29.6 | 0 | 0 | 0 | 0 | 107.6 | P230 Q234 | P230-T232 PolarHBondContact O-N 3.24Å; T232-Q234 PolarHBondContact O-N 2.77Å; T232-Q234 VanDerWaalsContact O-N 3.08Å |
| 233 | Q | 47.2 | Very low | 54.5 | Low | 172 Ų | 172 | 146.6 Ų | 146.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -65.6 | 111 | 170.4 | -70.3 | -145.3 | 28.4 | 0 | 0 | 107.9 | P231 H235 | P231-Q233 PolarHBondContact O-N 2.9Å; P231-Q233 VanDerWaalsContact O-N 3.15Å; Q233-H235 PolarHBondContact O-N 3.31Å | ||
| 234 | Q | 51.7 | Low | 54.3 | Low | 188 Ų | 188 | 143.4 Ų | 143.4 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -72.8 | 110 | 160.3 | -73.3 | -159.8 | -25.8 | 0 | 0 | 107 | T232 | T232-Q234 PolarHBondContact O-N 2.77Å; T232-Q234 VanDerWaalsContact O-N 3.08Å | ||
| 235 | H | 44.5 | Very low | 54.2 | Low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | trans | -82.5 | 126.2 | 167.7 | -135.1 | -98.7 | 0 | 0 | 0 | 107.4 | Q233 | Q233-H235 PolarHBondContact O-N 3.31Š| ||
| 236 | S | 50.8 | Low | 54.3 | Low | 186 Ų | 186 | 150.5 Ų | 150.5 | 100% | 1.301 | 84% | 0.836 | S | S | * | * | trans | -59.2 | 0 | 172.2 | -61.4 | 0 | 0 | 0 | 0 | 113 |
Retrieved 236 of 236 residues in 56.1 ms
(Link to these results)