| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.6 | Very low | 41.9 | Very low | 240 Ų | 240 | 150.5 Ų | 150.5 | 100% | 1.182 | 81% | 0.811 | S | S | * | * | 0 | 85.4 | 0 | -78.4 | 165.5 | 167.6 | 0 | 0 | 105.8 | |||||
| 2 | E | 43.5 | Very low | 41.9 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | 57.2 | 102.1 | 78.8 | -126.5 | -135.4 | 123.3 | 0 | 0 | 111.2 | |||||
| 3 | L | 38.5 | Very low | 41.6 | Very low | 146 Ų | 146 | 152.8 Ų | 152.8 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | 172.7 | 118.6 | 114.1 | -109.3 | 79.1 | 0 | 0 | 0 | 110.9 | |||||
| 4 | Q | 40.1 | Very low | 41.6 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -72.2 | 169.3 | 147.2 | -111.1 | -121.6 | 21.4 | 0 | 0 | 108.2 | ||||
| 5 | P | 49.5 | Very low | 41.5 | Very low | 106 Ų | 106 | 148.9 Ų | 148.9 | 69% | 0.688 | 81% | 0.808 | S | S | * | * | cis | -158.6 | 168.9 | 45.6 | 42.1 | -18.1 | 0 | 0 | 0 | 123 | ||||
| 6 | R | 41.3 | Very low | 41.2 | Very low | 219 Ų | 219 | 146.9 Ų | 146.9 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | 76.1 | 164.3 | 150.8 | -79.9 | -175.8 | -167.6 | -137.8 | 4.6 | 120.7 | ||||
| 7 | P | 48.9 | Very low | 41 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | cis | -139.5 | 165.1 | -46.1 | 38.2 | -21.3 | 0 | 0 | 0 | 113.2 | ||||
| 8 | A | 38 | Very low | 40.8 | Very low | 93 Ų | 93 | 147.1 Ų | 147.1 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 151.5 | 122.3 | 132.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 9 | C | 38.1 | Very low | 40.7 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | 56 | 89.7 | 140.8 | -125.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 10 | I | 45.4 | Very low | 41.2 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -113.1 | 106 | 155.9 | -61.9 | 174.5 | 0 | 0 | 0 | 107.8 | ||||
| 11 | T | 37.9 | Very low | 41.8 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | trans | 4 | 107.3 | 153.1 | -44.6 | 0 | 0 | 0 | 0 | 117.1 | Q13 | T11-Q13 HydrophobicContact CG2-CG 3.75Å; T11-Q13 PolarHBondContact O-N 3.42Å | ||
| 12 | L | 41.7 | Very low | 42 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | -76.8 | 98.1 | 155.6 | -88.9 | 158.7 | 0 | 0 | 0 | 108.6 | ||||
| 13 | Q | 38.5 | Very low | 42.7 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -91.2 | 131.5 | 156.3 | -74.7 | -123.9 | -26.1 | 0 | 0 | 108.4 | T11 V15 | T11-Q13 HydrophobicContact CG2-CG 3.75Å; T11-Q13 PolarHBondContact O-N 3.42Å; Q13-V15 PolarHBondContact O-N 2.91Å | ||
| 14 | P | 41.4 | Very low | 43.5 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | -71.3 | 123 | 171.4 | 28.5 | -30.4 | 0 | 0 | 0 | 109.3 | C16 | P14-C16 PolarHBondContact O-N 3.44Š| ||
| 15 | V | 40.7 | Very low | 44 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -57.1 | 105.3 | 170.9 | 174.9 | 0 | 0 | 0 | 0 | 108.8 | Q13 V17 | Q13-V15 PolarHBondContact O-N 2.91Å; V15-V17 PolarHBondContact O-N 3.44Å | ||
| 16 | C | 35.3 | Very low | 44.1 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -71.5 | 108.3 | 163.8 | -88.2 | 0 | 0 | 0 | 0 | 108.3 | P14 Q18 | P14-C16 PolarHBondContact O-N 3.44Å; C16-Q18 PolarHBondContact O-N 2.99Å; C16-Q18 VanDerWaalsContact O-N 3.14Å | ||
| 17 | V | 38.1 | Very low | 45 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -65.7 | 107.5 | 166.1 | 171.4 | 0 | 0 | 0 | 0 | 107.7 | V15 T19 | V15-V17 PolarHBondContact O-N 3.44Å; V17-T19 PolarHBondContact O-N 3.4Å | ||
| 18 | Q | 38.3 | Very low | 45.2 | Very low | 176 Ų | 176 | 127.2 Ų | 127.2 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -74.2 | 99.2 | 173.5 | -165.4 | 87.1 | 23.8 | 0 | 0 | 109 | C16 | C16-Q18 PolarHBondContact O-N 2.99Å; C16-Q18 VanDerWaalsContact O-N 3.14Å | ||
| 19 | T | 38.4 | Very low | 45.4 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 126.7 | 161.3 | 38.3 | 0 | 0 | 0 | 0 | 109.1 | V17 | V17-T19 PolarHBondContact O-N 3.4Š|
| 20 | P | 51.1 | Low | 46 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 138.8 | 174.7 | 28.8 | -32 | 0 | 0 | 0 | 110.4 | ||
| 21 | P | 53.4 | Low | 46.3 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 146.8 | 177.7 | 29.6 | -33.5 | 0 | 0 | 0 | 111.4 | V23 | P21-V23 PolarHBondContact O-N 3.43Š|
| 22 | P | 44.5 | Very low | 47 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 129.5 | 172.7 | 27.1 | -31.9 | 0 | 0 | 0 | 110.2 | ||
| 23 | V | 58.4 | Low | 47.2 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -57.6 | 143.6 | 161.5 | -119.4 | 0 | 0 | 0 | 0 | 107.9 | P21 | P21-V23 PolarHBondContact O-N 3.43Š|
| 24 | D | 54.3 | Low | 47.6 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | 98.6 | 49.4 | 175.5 | -44.7 | -33.9 | 0 | 0 | 0 | 117.3 | ||||
| 25 | A | 50.6 | Low | 48.6 | Very low | 83 Ų | 83 | 133.8 Ų | 133.8 | 69% | 0.686 | 75% | 0.749 | S | S | * | * | trans | -98 | 131.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 26 | P | 52.5 | Low | 49 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 57% | 0.565 | 75% | 0.752 | S | S | * | * | trans | -65.4 | 141.3 | -177.6 | 23.7 | -31.1 | 0 | 0 | 0 | 112.1 | I28 W29 | P26-I28 PolarHBondContact O-N 3.36Å; P26-W29 PolarHBondContact O-N 2.76Å; P26-W29 VanDerWaalsContact O-N 3.13Å | ||
| 27 | V | 59.3 | Low | 49.8 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -52 | -17.8 | -172.5 | -164.3 | 0 | 0 | 0 | 0 | 114.3 | W29 R30 | V27-W29 VanDerWaalsContact C-N 3.33Å; V27-W29 PolarHBondContact O-N 3.47Å; V27-R30 PolarHBondContact O-N 3.46Å |
| 28 | I | 52.8 | Low | 50.4 | Low | 136 Ų | 136 | 132.1 Ų | 132.1 | 70% | 0.697 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -70.2 | -24.1 | -178.9 | -68 | 167.1 | 0 | 0 | 0 | 112.8 | P26 | P26-I28 PolarHBondContact O-N 3.36Š|
| 29 | W | 42.8 | Very low | 51.2 | Low | 184 Ų | 184 | 128.8 Ų | 128.8 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -83.6 | -7.8 | 178.6 | -74.2 | 102.2 | 0 | 0 | 0 | 115 | P26 V27 K31 | P26-W29 PolarHBondContact O-N 2.76Å; P26-W29 VanDerWaalsContact O-N 3.13Å; V27-W29 VanDerWaalsContact C-N 3.33Å; V27-W29 PolarHBondContact O-N 3.47Å; W29-K31 VanDerWaalsContact C-N 3.27Å; W29-K31 PolarHBondContact O-N 3.41Å |
| 30 | R | 50.9 | Low | 51.5 | Low | 229 Ų | 229 | 129.5 Ų | 129.5 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -73.8 | -11.4 | 174.4 | -85.6 | -166.4 | -166.3 | -152.8 | 4.4 | 114.5 | V27 | V27-R30 PolarHBondContact O-N 3.46Š|
| 31 | K | 51.6 | Low | 51.5 | Low | 199 Ų | 199 | 133.3 Ų | 133.3 | 87% | 0.865 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -100.9 | -1.7 | -177.5 | -84.5 | -84.5 | -173.3 | 176.9 | 0 | 114.5 | W29 | W29-K31 VanDerWaalsContact C-N 3.27Å; W29-K31 PolarHBondContact O-N 3.41Å |
| 32 | L | 51.6 | Low | 51.6 | Low | 126 Ų | 126 | 130.9 Ų | 130.9 | 66% | 0.66 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -118.1 | 9 | -175.2 | -95 | 148.4 | 0 | 0 | 0 | 114.5 | ||
| 33 | L | 47.2 | Very low | 52.5 | Low | 139 Ų | 139 | 129.1 Ų | 129.1 | 73% | 0.728 | 71% | 0.712 | S | S | * | * | trans | -118.5 | 100 | 173.3 | -156.4 | 72.9 | 0 | 0 | 0 | 109.9 | A35 | L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.13Å; L33-A35 VanDerWaalsContact O-N 3.07Å | ||
| 34 | P | 46.7 | Very low | 52.8 | Low | 133 Ų | 133 | 126.9 Ų | 126.9 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -80.6 | 85.7 | 172.3 | 32.1 | -28.8 | 0 | 0 | 0 | 108.3 | ||||
| 35 | A | 61.5 | Low | 53.4 | Low | 71 Ų | 71 | 120.8 Ų | 120.8 | 59% | 0.587 | 68% | 0.675 | S | S | * | * | trans | -145.8 | 89.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | L33 | L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.13Å; L33-A35 VanDerWaalsContact O-N 3.07Å | ||
| 36 | D | 49.3 | Very low | 54.6 | Low | 163 Ų | 163 | 121.4 Ų | 121.4 | 87% | 0.872 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -172.3 | 38.7 | 137.4 | -110.4 | -32.4 | 0 | 0 | 0 | 116.3 | ||
| 37 | S | 51.8 | Low | 55.7 | Low | 116 Ų | 116 | 121 Ų | 121 | 81% | 0.811 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -147.6 | 21 | 170.6 | -63.8 | 0 | 0 | 0 | 0 | 115.5 | ||
| 38 | A | 50.3 | Low | 56.3 | Low | 53 Ų | 53 | 116.1 Ų | 116.1 | 44% | 0.438 | 63% | 0.631 | S | S | . | * | trans | -109.5 | -14.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | C40 R41 L42 | A38-C40 VanDerWaalsContact C-N 3.29Å; A38-C40 PolarHBondContact O-N 3.23Å; A38-R41 PolarHBondContact O-N 3.44Å; A38-R41 VanDerWaalsContact O-N 3.11Å; A38-L42 VanDerWaalsContact C-CD1 3.44Å; A38-L42 HydrophobicContact CB-CD1 3.67Å; A38-L42 HydrophobicContact CB-CG 3.93Å; A38-L42 WeakPolarHBondContact O-CB 3.32Å; A38-L42 WeakPolarHBondContact O-CD1 3.45Å; A38-L42 WeakPolarHBondContact O-CG 3.39Å; A38-L42 PolarHBondContact O-N 2.69Å; A38-L42 VanDerWaalsContact O-N 3.08Å | ||
| 39 | S | 55.1 | Low | 57.3 | Low | 107 Ų | 107 | 115.3 Ų | 115.3 | 75% | 0.748 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -25.9 | -170.7 | -82 | 0 | 0 | 0 | 0 | 116.7 | ||
| 40 | C | 44.8 | Very low | 59.1 | Low | 129 Ų | 129 | 110.8 Ų | 110.8 | 87% | 0.872 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -2.1 | 178.8 | -65.9 | 0 | 0 | 0 | 0 | 114.9 | A38 | A38-C40 VanDerWaalsContact C-N 3.29Å; A38-C40 PolarHBondContact O-N 3.23Å |
| 41 | R | 52.4 | Low | 60.5 | Low | 194 Ų | 194 | 103.9 Ų | 103.9 | 73% | 0.732 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 1.8 | 172 | -86.7 | -171.9 | -81.1 | -105.5 | 0.3 | 113.3 | A38 S44 A45 | A38-R41 PolarHBondContact O-N 3.44Å; A38-R41 VanDerWaalsContact O-N 3.11Å; R41-S44 PolarHBondContact O-OG 3.2Å; R41-A45 WeakPolarHBondContact O-CB 3.37Å; R41-A45 PolarHBondContact O-N 3.42Å |
| 42 | L | 55.6 | Low | 61.5 | Low | 64 Ų | 64 | 94.8 Ų | 94.8 | 34% | 0.335 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.3 | -35.4 | 178.8 | -86.1 | 160.3 | 0 | 0 | 0 | 115.2 | A38 M46 | A38-L42 VanDerWaalsContact C-CD1 3.44Å; A38-L42 HydrophobicContact CB-CD1 3.67Å; A38-L42 HydrophobicContact CB-CG 3.93Å; A38-L42 WeakPolarHBondContact O-CB 3.32Å; A38-L42 WeakPolarHBondContact O-CD1 3.45Å; A38-L42 WeakPolarHBondContact O-CG 3.39Å; A38-L42 PolarHBondContact O-N 2.69Å; A38-L42 VanDerWaalsContact O-N 3.08Å; L42-M46 HydrophobicContact CD2-CE 3.76Å; L42-M46 HydrophobicContact CD2-CG 4.23Å; L42-M46 WeakPolarHBondContact O-CB 3.5Å; L42-M46 WeakPolarHBondContact O-CG 3.26Å; L42-M46 PolarHBondContact O-N 2.75Å |
| 43 | P | 63.1 | Low | 62.8 | Low | 83 Ų | 83 | 95.3 Ų | 95.3 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69 | -42 | -176.4 | 24.6 | -31.3 | 0 | 0 | 0 | 112.1 | V47 | P43-V47 WeakPolarHBondContact O-CB 3.39Å; P43-V47 WeakPolarHBondContact O-CG2 3.08Å; P43-V47 PolarHBondContact O-N 3.34Å |
| 44 | S | 65.2 | Low | 64.3 | Low | 81 Ų | 81 | 93.6 Ų | 93.6 | 57% | 0.566 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.6 | -39.3 | 178.2 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | R41 S48 | R41-S44 PolarHBondContact O-OG 3.2Å; S44-S48 VanDerWaalsContact O-CB 3.25Å; S44-S48 WeakPolarHBondContact O-CB 3.34Å; S44-S48 PolarHBondContact O-N 2.96Å |
| 45 | A | 66.6 | Low | 65.7 | Low | 34 Ų | 34 | 89 Ų | 89 | 28% | 0.281 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R41 W49 | R41-A45 WeakPolarHBondContact O-CB 3.37Å; R41-A45 PolarHBondContact O-N 3.42Å; A45-W49 VanDerWaalsContact O-CB 3.29Å; A45-W49 WeakPolarHBondContact O-CB 3.36Å; A45-W49 PolarHBondContact O-N 2.88Å |
| 46 | M | 75.2 | Confident | 66.3 | Low | 96 Ų | 96 | 86.1 Ų | 86.1 | 47% | 0.473 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 175.3 | -71.8 | -65.8 | -165.6 | 0 | 0 | 111.4 | L42 W49 I50 | L42-M46 HydrophobicContact CD2-CE 3.76Å; L42-M46 HydrophobicContact CD2-CG 4.23Å; L42-M46 WeakPolarHBondContact O-CB 3.5Å; L42-M46 WeakPolarHBondContact O-CG 3.26Å; L42-M46 PolarHBondContact O-N 2.75Å; M46-W49 PolarHBondContact O-N 3.44Å; M46-I50 WeakPolarHBondContact O-CB 3.29Å; M46-I50 WeakPolarHBondContact O-CD1 3.36Å; M46-I50 WeakPolarHBondContact O-CG1 3.41Å; M46-I50 PolarHBondContact O-N 3.46Å |
| 47 | V | 75.8 | Confident | 67.8 | Low | 79 Ų | 79 | 83.2 Ų | 83.2 | 48% | 0.479 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 176.7 | 170 | 0 | 0 | 0 | 0 | 110.6 | P43 W49 I50 I51 | P43-V47 WeakPolarHBondContact O-CB 3.39Å; P43-V47 WeakPolarHBondContact O-CG2 3.08Å; P43-V47 PolarHBondContact O-N 3.34Å; V47-W49 PolarHBondContact O-N 3.21Å; V47-I50 PolarHBondContact O-N 2.94Å; V47-I51 HydrophobicContact CG1-CD1 3.52Å; V47-I51 HydrophobicContact CG1-CG1 4.32Å; V47-I51 WeakPolarHBondContact O-CB 3.37Å; V47-I51 WeakPolarHBondContact O-CD1 3.24Å; V47-I51 WeakPolarHBondContact O-CG1 3.45Å; V47-I51 PolarHBondContact O-N 3.49Å |
| 48 | S | 71.1 | Confident | 69 | Low | 22 Ų | 22 | 80.1 Ų | 80.1 | 15% | 0.154 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 112.3 | S44 I51 S52 I115 | S44-S48 VanDerWaalsContact O-CB 3.25Å; S44-S48 WeakPolarHBondContact O-CB 3.34Å; S44-S48 PolarHBondContact O-N 2.96Å; S48-I51 PolarHBondContact O-N 2.81Å; S48-S52 WeakPolarHBondContact O-CB 3.29Å; S48-S52 PolarHBondContact O-N 3.09Å; S48-I115 WeakPolarHBondContact OG-CD1 3.45Å |
| 49 | W | 75.1 | Confident | 70.2 | Confident | 119 Ų | 119 | 84.3 Ų | 84.3 | 45% | 0.451 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 177.4 | -174.8 | 76.5 | 0 | 0 | 0 | 112.7 | A45 M46 V47 R53 | A45-W49 VanDerWaalsContact O-CB 3.29Å; A45-W49 WeakPolarHBondContact O-CB 3.36Å; A45-W49 PolarHBondContact O-N 2.88Å; M46-W49 PolarHBondContact O-N 3.44Å; V47-W49 PolarHBondContact O-N 3.21Å; W49-R53 VanDerWaalsContact CZ2-CD 3.48Å; W49-R53 WeakPolarHBondContact O-CG 3.35Å; W49-R53 PolarHBondContact O-N 2.93Å |
| 50 | I | 81 | Confident | 71 | Confident | 89 Ų | 89 | 79.2 Ų | 79.2 | 46% | 0.456 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 175.7 | -69.3 | 162.7 | 0 | 0 | 0 | 110.2 | M46 V47 R53 L54 | M46-I50 WeakPolarHBondContact O-CB 3.29Å; M46-I50 WeakPolarHBondContact O-CD1 3.36Å; M46-I50 WeakPolarHBondContact O-CG1 3.41Å; M46-I50 PolarHBondContact O-N 3.46Å; V47-I50 PolarHBondContact O-N 2.94Å; I50-R53 PolarHBondContact O-N 2.9Å; I50-L54 VanDerWaalsContact O-CB 3.3Å; I50-L54 WeakPolarHBondContact O-CB 3.4Å; I50-L54 PolarHBondContact O-N 3.07Å |
| 51 | I | 79.4 | Confident | 72.6 | Confident | 84 Ų | 84 | 75 Ų | 75 | 43% | 0.431 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 179.5 | -67.5 | 164.5 | 0 | 0 | 0 | 110.6 | V47 S48 R53 L54 V55 | V47-I51 HydrophobicContact CG1-CD1 3.52Å; V47-I51 HydrophobicContact CG1-CG1 4.32Å; V47-I51 WeakPolarHBondContact O-CB 3.37Å; V47-I51 WeakPolarHBondContact O-CD1 3.24Å; V47-I51 WeakPolarHBondContact O-CG1 3.45Å; V47-I51 PolarHBondContact O-N 3.49Å; S48-I51 PolarHBondContact O-N 2.81Å; I51-R53 VanDerWaalsContact C-N 3.35Å; I51-R53 PolarHBondContact O-N 2.69Å; I51-L54 PolarHBondContact O-N 3.31Å; I51-L54 VanDerWaalsContact O-N 3.16Å; I51-V55 HydrophobicContact CG2-CG2 4.21Å; I51-V55 WeakPolarHBondContact O-CB 3.48Å; I51-V55 VanDerWaalsContact O-CG2 3.26Å; I51-V55 WeakPolarHBondContact O-CG2 3.32Å; I51-V55 PolarHBondContact O-N 3.49Å |
| 52 | S | 72.8 | Confident | 73.9 | Confident | 8 Ų | 8 | 71 Ų | 71 | 6% | 0.056 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.7 | -48.1 | 176.3 | -168.7 | 0 | 0 | 0 | 0 | 111.4 | S48 L54 V55 V56 | S48-S52 WeakPolarHBondContact O-CB 3.29Å; S48-S52 PolarHBondContact O-N 3.09Å; S52-L54 VanDerWaalsContact C-N 3.34Å; S52-L54 PolarHBondContact O-N 3.44Å; S52-V55 PolarHBondContact O-N 3.38Å; S52-V56 WeakPolarHBondContact O-CG2 3.24Å; S52-V56 PolarHBondContact O-N 2.86Å |
| 53 | R | 78.6 | Confident | 74.7 | Confident | 138 Ų | 138 | 75.6 Ų | 75.6 | 52% | 0.521 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 176.5 | -77.8 | 178 | 68.1 | 93.3 | -1.7 | 112.5 | W49 I50 I51 L57 | W49-R53 VanDerWaalsContact CZ2-CD 3.48Å; W49-R53 WeakPolarHBondContact O-CG 3.35Å; W49-R53 PolarHBondContact O-N 2.93Å; I50-R53 PolarHBondContact O-N 2.9Å; I51-R53 VanDerWaalsContact C-N 3.35Å; I51-R53 PolarHBondContact O-N 2.69Å; R53-L57 WeakPolarHBondContact O-CB 3.32Å; R53-L57 PolarHBondContact O-N 2.99Å |
| 54 | L | 79.1 | Confident | 75.3 | Confident | 103 Ų | 103 | 71.7 Ų | 71.7 | 54% | 0.539 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.3 | -41.1 | -177.9 | -145.9 | 160.2 | 0 | 0 | 0 | 110.5 | I50 I51 S52 L57 V58 | I50-L54 VanDerWaalsContact O-CB 3.3Å; I50-L54 WeakPolarHBondContact O-CB 3.4Å; I50-L54 PolarHBondContact O-N 3.07Å; I51-L54 PolarHBondContact O-N 3.31Å; I51-L54 VanDerWaalsContact O-N 3.16Å; S52-L54 VanDerWaalsContact C-N 3.34Å; S52-L54 PolarHBondContact O-N 3.44Å; L54-L57 PolarHBondContact O-N 2.92Å; L54-V58 HydrophobicContact CD2-CG2 3.65Å; L54-V58 VanDerWaalsContact O-CB 3.3Å; L54-V58 WeakPolarHBondContact O-CB 3.38Å; L54-V58 VanDerWaalsContact O-CG2 3.25Å; L54-V58 WeakPolarHBondContact O-CG2 3.48Å; L54-V58 PolarHBondContact O-N 2.85Å |
| 55 | V | 75.4 | Confident | 76.1 | Confident | 36 Ų | 36 | 70 Ų | 70 | 22% | 0.218 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 174.9 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | I51 S52 L57 V58 F59 V119 | I51-V55 HydrophobicContact CG2-CG2 4.21Å; I51-V55 WeakPolarHBondContact O-CB 3.48Å; I51-V55 VanDerWaalsContact O-CG2 3.26Å; I51-V55 WeakPolarHBondContact O-CG2 3.32Å; I51-V55 PolarHBondContact O-N 3.49Å; S52-V55 PolarHBondContact O-N 3.38Å; V55-L57 VanDerWaalsContact C-N 3.3Å; V55-L57 PolarHBondContact O-N 2.83Å; V55-V58 PolarHBondContact O-N 3.36Å; V55-F59 HydrophobicContact CB-CD2 4.44Å; V55-F59 HydrophobicContact CG1-CD2 3.74Å; V55-F59 HydrophobicContact CG1-CE2 4.16Å; V55-F59 WeakPolarHBondContact O-CB 3.2Å; V55-F59 VanDerWaalsContact O-CD2 3.32Å; V55-F59 WeakPolarHBondContact O-CD2 3.27Å; V55-F59 PolarHBondContact O-N 3.34Å; V55-V119 HydrophobicContact CG1-CG2 3.86Å |
| 56 | V | 74.6 | Confident | 76.7 | Confident | 10 Ų | 10 | 75.3 Ų | 75.3 | 6% | 0.061 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 178.1 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | S52 G60 F90 V118 L122 | S52-V56 WeakPolarHBondContact O-CG2 3.24Å; S52-V56 PolarHBondContact O-N 2.86Å; V56-G60 WeakPolarHBondContact O-CA 3.32Å; V56-G60 PolarHBondContact O-N 3.49Å; V56-F90 HydrophobicContact CG1-CE2 4.3Å; V56-V118 HydrophobicContact CG2-CG1 3.82Å; V56-L122 HydrophobicContact CG2-CD2 4.29Å |
| 57 | L | 80.4 | Confident | 76.6 | Confident | 102 Ų | 102 | 71.7 Ų | 71.7 | 53% | 0.534 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.6 | -43.9 | 178.6 | -165.9 | 142.2 | 0 | 0 | 0 | 111.3 | R53 L54 V55 T61 L62 | R53-L57 WeakPolarHBondContact O-CB 3.32Å; R53-L57 PolarHBondContact O-N 2.99Å; L54-L57 PolarHBondContact O-N 2.92Å; V55-L57 VanDerWaalsContact C-N 3.3Å; V55-L57 PolarHBondContact O-N 2.83Å; L57-T61 WeakPolarHBondContact O-CA 3.44Å; L57-T61 VanDerWaalsContact O-CB 3.27Å; L57-T61 WeakPolarHBondContact O-CB 3.48Å; L57-T61 PolarHBondContact O-N 3.15Å; L57-T61 PolarHBondContact O-OG1 3.26Å; L57-L62 PolarHBondContact O-N 3.31Å |
| 58 | V | 78.3 | Confident | 76.7 | Confident | 52 Ų | 52 | 69 Ų | 69 | 32% | 0.315 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -71.7 | -53.6 | -179.4 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | L54 V55 L62 | L54-V58 HydrophobicContact CD2-CG2 3.65Å; L54-V58 VanDerWaalsContact O-CB 3.3Å; L54-V58 WeakPolarHBondContact O-CB 3.38Å; L54-V58 VanDerWaalsContact O-CG2 3.25Å; L54-V58 WeakPolarHBondContact O-CG2 3.48Å; L54-V58 PolarHBondContact O-N 2.85Å; V55-V58 PolarHBondContact O-N 3.36Å; V58-L62 HydrophobicContact CG1-CB 4.45Å; V58-L62 HydrophobicContact CG1-CD2 4.04Å; V58-L62 WeakPolarHBondContact O-CA 3.28Å; V58-L62 WeakPolarHBondContact O-CB 3.32Å; V58-L62 PolarHBondContact O-N 3.42Å |
| 59 | F | 73.9 | Confident | 77.1 | Confident | 140 Ų | 140 | 75.5 Ų | 75.5 | 61% | 0.614 | 36% | 0.358 | S | S | * | . | I | π-helix | trans | -73.1 | -37 | -178.9 | -69.6 | -79.3 | 0 | 0 | 0 | 112.2 | V55 L122 | V55-F59 HydrophobicContact CB-CD2 4.44Å; V55-F59 HydrophobicContact CG1-CD2 3.74Å; V55-F59 HydrophobicContact CG1-CE2 4.16Å; V55-F59 WeakPolarHBondContact O-CB 3.2Å; V55-F59 VanDerWaalsContact O-CD2 3.32Å; V55-F59 WeakPolarHBondContact O-CD2 3.27Å; V55-F59 PolarHBondContact O-N 3.34Å; F59-L122 HydrophobicContact CB-CD2 4.03Å |
| 60 | G | 72.4 | Confident | 77 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | I | π-helix | trans | -85.4 | -24.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V56 P64 Y86 F90 | V56-G60 WeakPolarHBondContact O-CA 3.32Å; V56-G60 PolarHBondContact O-N 3.49Å; G60-P64 WeakPolarHBondContact O-CG 3.44Å; G60-Y86 PolarHBondContact O-OH 3.47Å; G60-F90 WeakPolarHBondContact O-CD2 3.29Å; G60-F90 WeakPolarHBondContact O-CE2 3.45Å |
| 61 | T | 79.3 | Confident | 76.6 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 24% | 0.239 | 34% | 0.341 | C | S | . | . | I | π-helix | trans | -118.7 | -32.8 | 179.3 | 78.4 | 0 | 0 | 0 | 0 | 114.5 | L57 P64 A65 F90 | L57-T61 WeakPolarHBondContact O-CA 3.44Å; L57-T61 VanDerWaalsContact O-CB 3.27Å; L57-T61 WeakPolarHBondContact O-CB 3.48Å; L57-T61 PolarHBondContact O-N 3.15Å; L57-T61 PolarHBondContact O-OG1 3.26Å; T61-P64 WeakPolarHBondContact O-CD 3.33Å; T61-P64 WeakPolarHBondContact O-CG 3.41Å; T61-A65 WeakPolarHBondContact O-CB 3.18Å; T61-A65 PolarHBondContact O-N 3.09Å; T61-F90 HydrophobicContact CG2-CE1 3.73Å; T61-F90 HydrophobicContact CG2-CE2 4.38Å; T61-F90 HydrophobicContact CG2-CZ 3.48Å; T61-F90 VanDerWaalsContact CG2-CZ 3.48Å |
| 62 | L | 79 | Confident | 76.4 | Confident | 111 Ų | 111 | 72.2 Ų | 72.2 | 58% | 0.581 | 35% | 0.35 | S | S | * | . | I | π-helix | trans | -73.6 | -44.6 | -175.1 | -162.3 | 68 | 0 | 0 | 0 | 112.1 | L57 V58 A65 Y66 | L57-L62 PolarHBondContact O-N 3.31Å; V58-L62 HydrophobicContact CG1-CB 4.45Å; V58-L62 HydrophobicContact CG1-CD2 4.04Å; V58-L62 WeakPolarHBondContact O-CA 3.28Å; V58-L62 WeakPolarHBondContact O-CB 3.32Å; V58-L62 PolarHBondContact O-N 3.42Å; L62-A65 PolarHBondContact O-N 2.94Å; L62-Y66 PolarHBondContact O-N 3.01Å |
| 63 | Y | 72.4 | Confident | 76.4 | Confident | 161 Ų | 161 | 79.4 Ų | 79.4 | 63% | 0.631 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -58.6 | -51.1 | 175.9 | -177 | -94.4 | 0 | 0 | 0 | 113.2 | S67 W83 | Y63-S67 PolarHBondContact O-N 3.42Å; Y63-S67 PolarHBondContact O-OG 2.85Å; Y63-W83 HydrophobicContact CE1-CH2 4.28Å |
| 64 | P | 75.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -72.8 | -28.1 | 176.5 | 30.4 | -39.8 | 0 | 0 | 0 | 113.6 | G60 T61 S67 S68 W83 Y86 W87 | G60-P64 WeakPolarHBondContact O-CG 3.44Å; T61-P64 WeakPolarHBondContact O-CD 3.33Å; T61-P64 WeakPolarHBondContact O-CG 3.41Å; P64-S67 PolarHBondContact O-N 3.49Å; P64-S68 WeakPolarHBondContact O-CA 3.3Å; P64-S68 WeakPolarHBondContact O-CB 3.39Å; P64-S68 PolarHBondContact O-N 3.33Å; P64-S68 PolarHBondContact O-OG 3.38Å; P64-W83 HydrophobicContact CB-CE3 3.73Å; P64-W83 HydrophobicContact CB-CZ3 3.44Å; P64-W83 VanDerWaalsContact CB-CZ3 3.44Å; P64-Y86 HydrophobicContact CB-CD1 3.61Å; P64-Y86 HydrophobicContact CB-CE1 3.25Å; P64-Y86 HydrophobicContact CG-CD1 4.2Å; P64-Y86 HydrophobicContact CG-CE1 3.36Å; P64-W87 HydrophobicContact CB-CZ2 4.38Å; P64-W87 HydrophobicContact CG-CZ2 4.49Å |
| 65 | A | 81.1 | Confident | 75.7 | Confident | 45 Ų | 45 | 80.2 Ų | 80.2 | 37% | 0.372 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T61 L62 S67 Y69 | T61-A65 WeakPolarHBondContact O-CB 3.18Å; T61-A65 PolarHBondContact O-N 3.09Å; L62-A65 PolarHBondContact O-N 2.94Å; A65-S67 VanDerWaalsContact C-N 3.3Å; A65-S67 PolarHBondContact O-N 3.37Å; A65-Y69 VanDerWaalsContact O-CB 3.31Å; A65-Y69 WeakPolarHBondContact O-CB 3.45Å; A65-Y69 PolarHBondContact O-N 2.73Å |
| 66 | Y | 80.6 | Confident | 75.4 | Confident | 147 Ų | 147 | 82.2 Ų | 82.2 | 58% | 0.576 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | 175.7 | 177.6 | -102.3 | 0 | 0 | 0 | 111.8 | L62 Y69 K70 | L62-Y66 PolarHBondContact O-N 3.01Å; Y66-Y69 WeakPolarHBondContact O-CB 3.49Å; Y66-Y69 PolarHBondContact O-N 3.44Å; Y66-K70 PolarHBondContact O-N 3.5Å |
| 67 | S | 73.1 | Confident | 75.2 | Confident | 20 Ų | 20 | 86.2 Ų | 86.2 | 14% | 0.14 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -78.1 | -34.9 | -177 | -52.4 | 0 | 0 | 0 | 0 | 112.6 | Y63 P64 A65 Y69 K70 A71 W83 | Y63-S67 PolarHBondContact O-N 3.42Å; Y63-S67 PolarHBondContact O-OG 2.85Å; P64-S67 PolarHBondContact O-N 3.49Å; A65-S67 VanDerWaalsContact C-N 3.3Å; A65-S67 PolarHBondContact O-N 3.37Å; S67-Y69 VanDerWaalsContact C-N 3.31Å; S67-Y69 PolarHBondContact O-N 3.34Å; S67-K70 PolarHBondContact O-N 2.92Å; S67-A71 PolarHBondContact O-N 2.8Å; S67-W83 VanDerWaalsContact CB-CE2 3.42Å |
| 68 | S | 77.4 | Confident | 74.7 | Confident | 22 Ų | 22 | 90.8 Ų | 90.8 | 15% | 0.154 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 167.8 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | P64 A71 V72 W87 | P64-S68 WeakPolarHBondContact O-CA 3.3Å; P64-S68 WeakPolarHBondContact O-CB 3.39Å; P64-S68 PolarHBondContact O-N 3.33Å; P64-S68 PolarHBondContact O-OG 3.38Å; S68-A71 PolarHBondContact O-N 2.93Å; S68-V72 VanDerWaalsContact O-CG2 3.28Å; S68-V72 WeakPolarHBondContact O-CG2 3.22Å; S68-V72 PolarHBondContact O-N 2.86Å; S68-W87 PolarHBondContact OG-NE1 2.92Å |
| 69 | Y | 79.1 | Confident | 74.3 | Confident | 158 Ų | 158 | 91.6 Ų | 91.6 | 62% | 0.62 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.3 | -43.1 | 173.6 | 173.8 | -99.1 | 0 | 0 | 0 | 111.8 | A65 Y66 S67 A71 V72 K73 | A65-Y69 VanDerWaalsContact O-CB 3.31Å; A65-Y69 WeakPolarHBondContact O-CB 3.45Å; A65-Y69 PolarHBondContact O-N 2.73Å; Y66-Y69 WeakPolarHBondContact O-CB 3.49Å; Y66-Y69 PolarHBondContact O-N 3.44Å; S67-Y69 VanDerWaalsContact C-N 3.31Å; S67-Y69 PolarHBondContact O-N 3.34Å; Y69-A71 VanDerWaalsContact C-N 3.35Å; Y69-V72 PolarHBondContact O-N 3.44Å; Y69-K73 PolarHBondContact O-N 3.47Å; Y69-K73 VanDerWaalsContact O-N 3.11Å |
| 70 | K | 73.6 | Confident | 74.3 | Confident | 117 Ų | 117 | 91.1 Ų | 91.1 | 51% | 0.509 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.6 | -156.6 | -169.1 | -76.2 | -179.2 | 0 | 111.3 | Y66 S67 K73 T74 | Y66-K70 PolarHBondContact O-N 3.5Å; S67-K70 PolarHBondContact O-N 2.92Å; K70-K73 PolarHBondContact O-N 3.42Å; K70-T74 PolarHBondContact O-N 3.04Å; K70-T74 VanDerWaalsContact O-N 3.11Å; K70-T74 PolarHBondContact O-OG1 3.48Å |
| 71 | A | 73.4 | Confident | 74.3 | Confident | 5 Ų | 5 | 94 Ų | 94 | 4% | 0.041 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S67 S68 Y69 K73 T74 K75 E79 | S67-A71 PolarHBondContact O-N 2.8Å; S68-A71 PolarHBondContact O-N 2.93Å; Y69-A71 VanDerWaalsContact C-N 3.35Å; A71-K73 VanDerWaalsContact C-N 3.29Å; A71-K73 PolarHBondContact O-N 2.88Å; A71-T74 PolarHBondContact O-N 2.86Å; A71-T74 PolarHBondContact O-OG1 3.32Å; A71-K75 PolarHBondContact O-N 2.87Å; A71-E79 HydrophobicContact CB-CB 3.98Å; A71-E79 HydrophobicContact CB-CG 3.64Å |
| 72 | V | 73.3 | Confident | 73.6 | Confident | 102 Ų | 102 | 97.4 Ų | 97.4 | 62% | 0.618 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65 | -36.7 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 111 | S68 Y69 | S68-V72 VanDerWaalsContact O-CG2 3.28Å; S68-V72 WeakPolarHBondContact O-CG2 3.22Å; S68-V72 PolarHBondContact O-N 2.86Å; Y69-V72 PolarHBondContact O-N 3.44Å |
| 73 | K | 74.1 | Confident | 73.6 | Confident | 159 Ų | 159 | 93.6 Ų | 93.6 | 69% | 0.691 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -69.7 | -36.1 | 178.3 | -170 | 178.1 | 177.7 | 179.9 | 0 | 112.6 | Y69 K70 A71 | Y69-K73 PolarHBondContact O-N 3.47Å; Y69-K73 VanDerWaalsContact O-N 3.11Å; K70-K73 PolarHBondContact O-N 3.42Å; A71-K73 VanDerWaalsContact C-N 3.29Å; A71-K73 PolarHBondContact O-N 2.88Å |
| 74 | T | 72.5 | Confident | 73.6 | Confident | 74 Ų | 74 | 89.9 Ų | 89.9 | 45% | 0.454 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -85.3 | -10.5 | 179 | 63.2 | 0 | 0 | 0 | 0 | 113.6 | K70 A71 D76 | K70-T74 PolarHBondContact O-N 3.04Å; K70-T74 VanDerWaalsContact O-N 3.11Å; K70-T74 PolarHBondContact O-OG1 3.48Å; A71-T74 PolarHBondContact O-N 2.86Å; A71-T74 PolarHBondContact O-OG1 3.32Å; T74-D76 WeakPolarHBondContact CB-OD2 3.34Å; T74-D76 PolarHBondContact O-N 3.47Å; T74-D76 PolarHBondContact OG1-OD2 3.47Å |
| 75 | K | 70.6 | Confident | 73.2 | Confident | 184 Ų | 184 | 92.6 Ų | 92.6 | 80% | 0.8 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 24.9 | -177.8 | -63.8 | -177.5 | 176.6 | 176.6 | 0 | 113.6 | A71 V77 | A71-K75 PolarHBondContact O-N 2.87Å; K75-V77 PolarHBondContact O-N 3.43Å |
| 76 | D | 69.3 | Low | 72.7 | Confident | 77 Ų | 77 | 93.7 Ų | 93.7 | 41% | 0.412 | 43% | 0.433 | S | S | . | . | trans | -78.8 | 107.3 | 178.3 | -70.9 | -56.3 | 0 | 0 | 0 | 110.5 | T74 R78 E79 Y80 | T74-D76 WeakPolarHBondContact CB-OD2 3.34Å; T74-D76 PolarHBondContact O-N 3.47Å; T74-D76 PolarHBondContact OG1-OD2 3.47Å; D76-R78 PolarHBondContact O-N 2.92Å; D76-E79 HydrophobicContact CB-CB 3.95Å; D76-E79 PolarHBondContact O-N 2.87Å; D76-Y80 PolarHBondContact O-N 3.48Å; D76-Y80 VanDerWaalsContact O-N 3.13Å | ||
| 77 | V | 70.1 | Confident | 72.7 | Confident | 94 Ų | 94 | 91.2 Ų | 91.2 | 57% | 0.57 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -57.2 | -38.8 | 179.8 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | K75 E79 Y80 V81 | K75-V77 PolarHBondContact O-N 3.43Å; V77-E79 VanDerWaalsContact C-N 3.25Å; V77-E79 PolarHBondContact O-N 3.31Å; V77-Y80 PolarHBondContact O-N 3.35Å; V77-V81 WeakPolarHBondContact O-CG2 3.27Å; V77-V81 PolarHBondContact O-N 3.01Å; V77-V81 VanDerWaalsContact O-N 3.1Å |
| 78 | R | 69 | Low | 72.8 | Confident | 199 Ų | 199 | 93.9 Ų | 93.9 | 75% | 0.751 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.9 | -25.5 | 178.7 | -71.5 | -173.9 | -70.5 | -100.7 | -2 | 113.8 | D76 K82 | D76-R78 PolarHBondContact O-N 2.92Å; R78-K82 WeakPolarHBondContact O-CG 3.27Å; R78-K82 PolarHBondContact O-NZ 3.11Å |
| 79 | E | 69.3 | Low | 72.6 | Confident | 69 Ų | 69 | 94.7 Ų | 94.7 | 32% | 0.322 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -84.4 | -41.5 | 178.7 | -162.1 | 59.9 | -157.6 | 0 | 0 | 109.5 | A71 D76 V77 V81 K82 W83 | A71-E79 HydrophobicContact CB-CB 3.98Å; A71-E79 HydrophobicContact CB-CG 3.64Å; D76-E79 HydrophobicContact CB-CB 3.95Å; D76-E79 PolarHBondContact O-N 2.87Å; V77-E79 VanDerWaalsContact C-N 3.25Å; V77-E79 PolarHBondContact O-N 3.31Å; E79-V81 VanDerWaalsContact C-N 3.29Å; E79-V81 PolarHBondContact O-N 3.49Å; E79-K82 PolarHBondContact O-N 3.25Å; E79-K82 VanDerWaalsContact O-N 3.13Å; E79-K82 IonicContact OE2-NZ 3.52Å; E79-W83 PolarHBondContact O-N 2.97Å; E79-W83 PolarHBondContact OE1-NE1 2.89Å |
| 80 | Y | 74.2 | Confident | 72.3 | Confident | 129 Ų | 129 | 88.6 Ų | 88.6 | 51% | 0.506 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -54.2 | -43.8 | 172.7 | 179.5 | -99 | 0 | 0 | 0 | 112.8 | D76 V77 W83 M84 | D76-Y80 PolarHBondContact O-N 3.48Å; D76-Y80 VanDerWaalsContact O-N 3.13Å; V77-Y80 PolarHBondContact O-N 3.35Å; Y80-W83 PolarHBondContact O-N 2.71Å; Y80-M84 HydrophobicContact CE1-CE 3.99Å; Y80-M84 HydrophobicContact CE2-CE 4.43Å; Y80-M84 WeakPolarHBondContact O-CB 3.33Å; Y80-M84 PolarHBondContact O-N 2.77Å; Y80-M84 WeakPolarHBondContact OH-CE 3.17Å |
| 81 | V | 72.1 | Confident | 72.6 | Confident | 61 Ų | 61 | 85.4 Ų | 85.4 | 37% | 0.37 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 178.1 | 175 | 0 | 0 | 0 | 0 | 111.6 | V77 E79 W83 M84 M85 Y236 | V77-V81 WeakPolarHBondContact O-CG2 3.27Å; V77-V81 PolarHBondContact O-N 3.01Å; V77-V81 VanDerWaalsContact O-N 3.1Å; E79-V81 VanDerWaalsContact C-N 3.29Å; E79-V81 PolarHBondContact O-N 3.49Å; V81-W83 PolarHBondContact O-N 2.93Å; V81-M84 PolarHBondContact O-N 3.09Å; V81-M85 PolarHBondContact O-N 2.9Å; V81-Y236 WeakPolarHBondContact CG2-OH 3.14Å |
| 82 | K | 66.4 | Low | 72.7 | Confident | 112 Ų | 112 | 88 Ų | 88 | 49% | 0.487 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.2 | -68.7 | -173.1 | -160.7 | 81.4 | 0 | 111.9 | R78 E79 M85 Y86 | R78-K82 WeakPolarHBondContact O-CG 3.27Å; R78-K82 PolarHBondContact O-NZ 3.11Å; E79-K82 PolarHBondContact O-N 3.25Å; E79-K82 VanDerWaalsContact O-N 3.13Å; E79-K82 IonicContact OE2-NZ 3.52Å; K82-M85 PolarHBondContact O-N 3.45Å; K82-Y86 PolarHBondContact O-N 3.28Å |
| 83 | W | 77.3 | Confident | 72.7 | Confident | 30 Ų | 30 | 84.3 Ų | 84.3 | 11% | 0.114 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 175 | -73.4 | 108.7 | 0 | 0 | 0 | 111.7 | Y63 P64 S67 E79 Y80 V81 M85 Y86 W87 | Y63-W83 HydrophobicContact CE1-CH2 4.28Å; P64-W83 HydrophobicContact CB-CE3 3.73Å; P64-W83 HydrophobicContact CB-CZ3 3.44Å; P64-W83 VanDerWaalsContact CB-CZ3 3.44Å; S67-W83 VanDerWaalsContact CB-CE2 3.42Å; E79-W83 PolarHBondContact O-N 2.97Å; E79-W83 PolarHBondContact OE1-NE1 2.89Å; Y80-W83 PolarHBondContact O-N 2.71Å; V81-W83 PolarHBondContact O-N 2.93Å; W83-M85 VanDerWaalsContact C-N 3.33Å; W83-M85 PolarHBondContact O-N 2.92Å; W83-Y86 HydrophobicContact CE3-CD1 4.35Å; W83-Y86 HydrophobicContact CE3-CG 4.36Å; W83-Y86 HydrophobicContact CZ3-CD1 4.37Å; W83-Y86 HydrophobicContact CZ3-CG 4.25Å; W83-Y86 WeakPolarHBondContact O-CB 3.32Å; W83-Y86 PolarHBondContact O-N 3.49Å; W83-W87 PolarHBondContact O-N 2.89Å |
| 84 | M | 74.1 | Confident | 72.9 | Confident | 83 Ų | 83 | 79 Ų | 79 | 41% | 0.409 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 175.8 | -171.1 | 63.5 | 74.3 | 0 | 0 | 111.5 | Y80 V81 Y86 W87 I88 | Y80-M84 HydrophobicContact CE1-CE 3.99Å; Y80-M84 HydrophobicContact CE2-CE 4.43Å; Y80-M84 WeakPolarHBondContact O-CB 3.33Å; Y80-M84 PolarHBondContact O-N 2.77Å; Y80-M84 WeakPolarHBondContact OH-CE 3.17Å; V81-M84 PolarHBondContact O-N 3.09Å; M84-Y86 PolarHBondContact O-N 3.49Å; M84-W87 PolarHBondContact O-N 2.86Å; M84-I88 WeakPolarHBondContact O-CG1 3.24Å; M84-I88 PolarHBondContact O-N 3.34Å |
| 85 | M | 67.1 | Low | 73.3 | Confident | 57 Ų | 57 | 79.9 Ų | 79.9 | 28% | 0.281 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 175.3 | -169 | 176.9 | 73 | 0 | 0 | 111.1 | V81 K82 W83 W87 I88 I89 M241 | V81-M85 PolarHBondContact O-N 2.9Å; K82-M85 PolarHBondContact O-N 3.45Å; W83-M85 VanDerWaalsContact C-N 3.33Å; W83-M85 PolarHBondContact O-N 2.92Å; M85-W87 VanDerWaalsContact C-N 3.33Å; M85-W87 PolarHBondContact O-N 3.29Å; M85-I88 PolarHBondContact O-N 3.33Å; M85-I89 HydrophobicContact CG-CD1 4.14Å; M85-I89 WeakPolarHBondContact O-CD1 3.11Å; M85-I89 WeakPolarHBondContact O-CG1 3.16Å; M85-I89 PolarHBondContact O-N 2.96Å; M85-M241 HydrophobicContact SD-CE 4.48Å |
| 86 | Y | 70.5 | Confident | 73.6 | Confident | 69 Ų | 69 | 74.5 Ų | 74.5 | 27% | 0.271 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -54 | -46 | 174.8 | 173.9 | -81.1 | 0 | 0 | 0 | 112.3 | G60 P64 K82 W83 M84 I88 I89 F90 | G60-Y86 PolarHBondContact O-OH 3.47Å; P64-Y86 HydrophobicContact CB-CD1 3.61Å; P64-Y86 HydrophobicContact CB-CE1 3.25Å; P64-Y86 HydrophobicContact CG-CD1 4.2Å; P64-Y86 HydrophobicContact CG-CE1 3.36Å; K82-Y86 PolarHBondContact O-N 3.28Å; W83-Y86 HydrophobicContact CE3-CD1 4.35Å; W83-Y86 HydrophobicContact CE3-CG 4.36Å; W83-Y86 HydrophobicContact CZ3-CD1 4.37Å; W83-Y86 HydrophobicContact CZ3-CG 4.25Å; W83-Y86 WeakPolarHBondContact O-CB 3.32Å; W83-Y86 PolarHBondContact O-N 3.49Å; M84-Y86 PolarHBondContact O-N 3.49Å; Y86-I88 VanDerWaalsContact C-N 3.28Å; Y86-I88 PolarHBondContact O-N 2.85Å; Y86-I89 PolarHBondContact O-N 2.84Å; Y86-F90 HydrophobicContact CE1-CB 4.07Å; Y86-F90 WeakPolarHBondContact O-CB 3.48Å; Y86-F90 PolarHBondContact O-N 2.82Å |
| 87 | W | 80.6 | Confident | 73.9 | Confident | 95 Ų | 95 | 71.9 Ų | 71.9 | 36% | 0.36 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61 | -35.1 | -179.2 | -78.4 | 111.7 | 0 | 0 | 0 | 112.8 | P64 S68 W83 M84 M85 F90 A91 | P64-W87 HydrophobicContact CB-CZ2 4.38Å; P64-W87 HydrophobicContact CG-CZ2 4.49Å; S68-W87 PolarHBondContact OG-NE1 2.92Å; W83-W87 PolarHBondContact O-N 2.89Å; M84-W87 PolarHBondContact O-N 2.86Å; M85-W87 VanDerWaalsContact C-N 3.33Å; M85-W87 PolarHBondContact O-N 3.29Å; W87-F90 HydrophobicContact CE3-CD1 4.1Å; W87-F90 HydrophobicContact CZ3-CD1 4.14Å; W87-F90 HydrophobicContact CZ3-CE1 4.41Å; W87-F90 PolarHBondContact O-N 3.3Å; W87-A91 PolarHBondContact O-N 3.47Å |
| 88 | I | 74.6 | Confident | 74.5 | Confident | 76 Ų | 76 | 71.6 Ų | 71.6 | 39% | 0.39 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.8 | -40.4 | 178 | -53.4 | 161.5 | 0 | 0 | 0 | 110.8 | M84 M85 Y86 F90 A91 L92 L141 | M84-I88 WeakPolarHBondContact O-CG1 3.24Å; M84-I88 PolarHBondContact O-N 3.34Å; M85-I88 PolarHBondContact O-N 3.33Å; Y86-I88 VanDerWaalsContact C-N 3.28Å; Y86-I88 PolarHBondContact O-N 2.85Å; I88-F90 VanDerWaalsContact C-N 3.31Å; I88-F90 PolarHBondContact O-N 3.45Å; I88-A91 PolarHBondContact O-N 3.38Å; I88-L92 PolarHBondContact O-N 3.23Å; I88-L92 VanDerWaalsContact O-N 3.09Å; I88-L141 HydrophobicContact CB-CD2 3.93Å; I88-L141 HydrophobicContact CD1-CD2 4.29Å; I88-L141 HydrophobicContact CG2-CD2 3.25Å |
| 89 | I | 73.1 | Confident | 75 | Confident | 38 Ų | 38 | 68 Ų | 68 | 20% | 0.195 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 176.1 | -60 | 146.4 | 0 | 0 | 0 | 110.3 | M85 Y86 A91 L92 F93 Y133 V137 L141 | M85-I89 HydrophobicContact CG-CD1 4.14Å; M85-I89 WeakPolarHBondContact O-CD1 3.11Å; M85-I89 WeakPolarHBondContact O-CG1 3.16Å; M85-I89 PolarHBondContact O-N 2.96Å; Y86-I89 PolarHBondContact O-N 2.84Å; I89-A91 VanDerWaalsContact C-N 3.33Å; I89-A91 PolarHBondContact O-N 3.01Å; I89-L92 PolarHBondContact O-N 2.85Å; I89-F93 WeakPolarHBondContact O-CB 3.03Å; I89-F93 PolarHBondContact O-N 3.44Å; I89-Y133 HydrophobicContact CD1-CE2 3.37Å; I89-Y133 WeakPolarHBondContact CD1-OH 3.11Å; I89-Y133 HydrophobicContact CG1-CE2 3.73Å; I89-Y133 HydrophobicContact CG2-CD2 4.46Å; I89-Y133 HydrophobicContact CG2-CE2 4.23Å; I89-V137 HydrophobicContact CG1-CG1 3.91Å; I89-L141 HydrophobicContact CG1-CD1 4.42Å |
| 90 | F | 72.6 | Confident | 75.2 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 13% | 0.132 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61 | -40.1 | 176.3 | 178.4 | -106.9 | 0 | 0 | 0 | 112.3 | V56 G60 T61 Y86 W87 I88 F93 T94 | V56-F90 HydrophobicContact CG1-CE2 4.3Å; G60-F90 WeakPolarHBondContact O-CD2 3.29Å; G60-F90 WeakPolarHBondContact O-CE2 3.45Å; T61-F90 HydrophobicContact CG2-CE1 3.73Å; T61-F90 HydrophobicContact CG2-CE2 4.38Å; T61-F90 HydrophobicContact CG2-CZ 3.48Å; T61-F90 VanDerWaalsContact CG2-CZ 3.48Å; Y86-F90 HydrophobicContact CE1-CB 4.07Å; Y86-F90 WeakPolarHBondContact O-CB 3.48Å; Y86-F90 PolarHBondContact O-N 2.82Å; W87-F90 HydrophobicContact CE3-CD1 4.1Å; W87-F90 HydrophobicContact CZ3-CD1 4.14Å; W87-F90 HydrophobicContact CZ3-CE1 4.41Å; W87-F90 PolarHBondContact O-N 3.3Å; I88-F90 VanDerWaalsContact C-N 3.31Å; I88-F90 PolarHBondContact O-N 3.45Å; F90-F93 PolarHBondContact O-N 3.25Å; F90-T94 WeakPolarHBondContact O-CB 3.32Å; F90-T94 PolarHBondContact O-N 3.33Å; F90-T94 PolarHBondContact O-OG1 3.46Å |
| 91 | A | 80.2 | Confident | 75.2 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W87 I88 I89 F93 T94 T95 | W87-A91 PolarHBondContact O-N 3.47Å; I88-A91 PolarHBondContact O-N 3.38Å; I89-A91 VanDerWaalsContact C-N 3.33Å; I89-A91 PolarHBondContact O-N 3.01Å; A91-F93 VanDerWaalsContact C-N 3.34Å; A91-T94 PolarHBondContact O-N 3.3Å; A91-T95 PolarHBondContact O-N 3.16Å; A91-T95 VanDerWaalsContact O-N 3.07Å; A91-T95 PolarHBondContact O-OG1 2.92Å |
| 92 | L | 74.7 | Confident | 75.4 | Confident | 58 Ų | 58 | 65.9 Ų | 65.9 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 174.5 | -71 | 174.8 | 0 | 0 | 0 | 111.3 | I88 I89 T94 T95 V96 T140 | I88-L92 PolarHBondContact O-N 3.23Å; I88-L92 VanDerWaalsContact O-N 3.09Å; I89-L92 PolarHBondContact O-N 2.85Å; L92-T94 PolarHBondContact O-N 2.92Å; L92-T95 WeakPolarHBondContact O-CB 3.2Å; L92-T95 PolarHBondContact O-N 3.43Å; L92-V96 PolarHBondContact O-N 3.12Å; L92-V96 VanDerWaalsContact O-N 3.11Å; L92-T140 HydrophobicContact CD1-CG2 4.37Å; L92-T140 HydrophobicContact CD2-CG2 4.43Å |
| 93 | F | 73.9 | Confident | 75.7 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 11% | 0.114 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59 | -47.7 | 175.3 | 177.7 | -85.2 | 0 | 0 | 0 | 111.7 | I89 F90 A91 T95 V96 E97 V118 L121 L122 | I89-F93 WeakPolarHBondContact O-CB 3.03Å; I89-F93 PolarHBondContact O-N 3.44Å; F90-F93 PolarHBondContact O-N 3.25Å; A91-F93 VanDerWaalsContact C-N 3.34Å; F93-T95 PolarHBondContact O-N 3.2Å; F93-V96 PolarHBondContact O-N 3.43Å; F93-V96 VanDerWaalsContact O-N 3.1Å; F93-E97 HydrophobicContact CE1-CB 4.34Å; F93-E97 PolarHBondContact O-N 3.25Å; F93-V118 HydrophobicContact CZ-CG1 4.09Å; F93-L121 HydrophobicContact CD2-CB 4.47Å; F93-L121 HydrophobicContact CE2-CB 3.59Å; F93-L121 HydrophobicContact CE2-CD1 4.3Å; F93-L121 HydrophobicContact CZ-CB 4.41Å; F93-L122 HydrophobicContact CD1-CD1 3.24Å; F93-L122 HydrophobicContact CD2-CD1 4.2Å; F93-L122 HydrophobicContact CE1-CD1 2.98Å; F93-L122 HydrophobicContact CE1-CG 4.31Å; F93-L122 HydrophobicContact CE2-CD1 3.94Å; F93-L122 HydrophobicContact CG-CD1 3.88Å; F93-L122 HydrophobicContact CZ-CB 4.11Å; F93-L122 HydrophobicContact CZ-CD1 3.33Å; F93-L122 HydrophobicContact CZ-CG 4.35Å |
| 94 | T | 78.7 | Confident | 75.2 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 28% | 0.282 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59 | -35.7 | 178.5 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | F90 A91 L92 E97 V98 | F90-T94 WeakPolarHBondContact O-CB 3.32Å; F90-T94 PolarHBondContact O-N 3.33Å; F90-T94 PolarHBondContact O-OG1 3.46Å; A91-T94 PolarHBondContact O-N 3.3Å; L92-T94 PolarHBondContact O-N 2.92Å; T94-E97 WeakPolarHBondContact O-CB 3.42Å; T94-E97 PolarHBondContact O-N 2.85Å; T94-V98 VanDerWaalsContact O-CG2 3.32Å; T94-V98 WeakPolarHBondContact O-CG2 3.24Å; T94-V98 PolarHBondContact O-N 2.82Å |
| 95 | T | 79.8 | Confident | 74.7 | Confident | 94 Ų | 94 | 68.7 Ų | 68.7 | 58% | 0.577 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.7 | -43.3 | 176.9 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | A91 L92 F93 E97 V98 F99 | A91-T95 PolarHBondContact O-N 3.16Å; A91-T95 VanDerWaalsContact O-N 3.07Å; A91-T95 PolarHBondContact O-OG1 2.92Å; L92-T95 WeakPolarHBondContact O-CB 3.2Å; L92-T95 PolarHBondContact O-N 3.43Å; F93-T95 PolarHBondContact O-N 3.2Å; T95-E97 VanDerWaalsContact C-N 3.31Å; T95-E97 PolarHBondContact O-N 2.85Å; T95-V98 PolarHBondContact O-N 3.47Å; T95-F99 WeakPolarHBondContact O-CB 3.04Å; T95-F99 PolarHBondContact O-N 3.45Å |
| 96 | V | 77.5 | Confident | 74.8 | Confident | 70 Ų | 70 | 77 Ų | 77 | 42% | 0.424 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 175.4 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | L92 F93 F99 T100 | L92-V96 PolarHBondContact O-N 3.12Å; L92-V96 VanDerWaalsContact O-N 3.11Å; F93-V96 PolarHBondContact O-N 3.43Å; F93-V96 VanDerWaalsContact O-N 3.1Å; V96-F99 PolarHBondContact O-N 3.35Å; V96-T100 WeakPolarHBondContact O-CB 3Å; V96-T100 PolarHBondContact O-N 2.97Å; V96-T100 PolarHBondContact O-OG1 3.03Å |
| 97 | E | 77.1 | Confident | 74.5 | Confident | 23 Ų | 23 | 78.3 Ų | 78.3 | 11% | 0.107 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.6 | -51.1 | 174 | -175.6 | -171.8 | 179.9 | 0 | 0 | 111.1 | F93 T94 T95 F99 T100 D101 | F93-E97 HydrophobicContact CE1-CB 4.34Å; F93-E97 PolarHBondContact O-N 3.25Å; T94-E97 WeakPolarHBondContact O-CB 3.42Å; T94-E97 PolarHBondContact O-N 2.85Å; T95-E97 VanDerWaalsContact C-N 3.31Å; T95-E97 PolarHBondContact O-N 2.85Å; E97-F99 VanDerWaalsContact C-N 3.35Å; E97-F99 PolarHBondContact O-N 3.08Å; E97-T100 PolarHBondContact O-N 3.45Å; E97-D101 PolarHBondContact O-N 3.12Å |
| 98 | V | 80.8 | Confident | 73.5 | Confident | 88 Ų | 88 | 79.6 Ų | 79.6 | 53% | 0.533 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 179.5 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | T94 T95 D101 M102 | T94-V98 VanDerWaalsContact O-CG2 3.32Å; T94-V98 WeakPolarHBondContact O-CG2 3.24Å; T94-V98 PolarHBondContact O-N 2.82Å; T95-V98 PolarHBondContact O-N 3.47Å; V98-D101 WeakPolarHBondContact O-CB 3.23Å; V98-D101 PolarHBondContact O-N 3.08Å; V98-M102 PolarHBondContact O-N 3.34Å |
| 99 | F | 81.1 | Confident | 73.2 | Confident | 124 Ų | 124 | 83.9 Ų | 83.9 | 54% | 0.544 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.3 | -52.4 | 175.4 | -171 | -92 | 0 | 0 | 0 | 109.9 | T95 V96 E97 D101 M102 F103 | T95-F99 WeakPolarHBondContact O-CB 3.04Å; T95-F99 PolarHBondContact O-N 3.45Å; V96-F99 PolarHBondContact O-N 3.35Å; E97-F99 VanDerWaalsContact C-N 3.35Å; E97-F99 PolarHBondContact O-N 3.08Å; F99-D101 PolarHBondContact O-N 2.77Å; F99-M102 WeakPolarHBondContact O-CA 3.4Å; F99-M102 VanDerWaalsContact O-CB 3.25Å; F99-M102 WeakPolarHBondContact O-CB 3.06Å; F99-M102 PolarHBondContact O-N 3.07Å; F99-F103 AromaticContact CD1-CD2 3.39Å; F99-F103 HydrophobicContact CD1-CD2 3.39Å; F99-F103 AromaticContact CD1-CE2 3.5Å; F99-F103 HydrophobicContact CD1-CE2 3.5Å; F99-F103 VanDerWaalsContact CD1-CE2 3.5Å; F99-F103 HydrophobicContact CD1-CG 4.49Å; F99-F103 HydrophobicContact CD2-CD2 4.11Å; F99-F103 AromaticContact CD2-CE2 3.39Å; F99-F103 HydrophobicContact CD2-CE2 3.39Å; F99-F103 HydrophobicContact CD2-CZ 4.27Å; F99-F103 AromaticContact CE1-CD2 3.3Å; F99-F103 HydrophobicContact CE1-CD2 3.3Å; F99-F103 AromaticContact CE1-CE2 3.2Å; F99-F103 HydrophobicContact CE1-CE2 3.2Å; F99-F103 HydrophobicContact CE1-CG 4.19Å; F99-F103 AromaticContact CE1-CZ 3.87Å; F99-F103 HydrophobicContact CE1-CZ 3.87Å; F99-F103 HydrophobicContact CE2-CD2 4.05Å; F99-F103 AromaticContact CE2-CE2 3.1Å; F99-F103 HydrophobicContact CE2-CE2 3.1Å; F99-F103 AromaticContact CE2-CZ 3.55Å; F99-F103 HydrophobicContact CE2-CZ 3.55Å; F99-F103 AromaticContact CG-CD2 3.8Å; F99-F103 HydrophobicContact CG-CD2 3.8Å; F99-F103 AromaticContact CG-CE2 3.58Å; F99-F103 HydrophobicContact CG-CE2 3.58Å; F99-F103 AromaticContact CZ-CD2 3.66Å; F99-F103 HydrophobicContact CZ-CD2 3.66Å; F99-F103 HydrophobicContact CZ-CE1 4.25Å; F99-F103 AromaticContact CZ-CE2 2.99Å; F99-F103 HydrophobicContact CZ-CE2 2.99Å; F99-F103 AromaticContact CZ-CZ 3.31Å; F99-F103 HydrophobicContact CZ-CZ 3.31Å; F99-F103 WeakPolarHBondContact O-CD2 3.45Å; F99-F103 PolarHBondContact O-N 2.96Å |
| 100 | T | 73.4 | Confident | 72.9 | Confident | 28 Ų | 28 | 83.5 Ų | 83.5 | 17% | 0.172 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.5 | -21.7 | -178.1 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | V96 E97 L104 Y110 | V96-T100 WeakPolarHBondContact O-CB 3Å; V96-T100 PolarHBondContact O-N 2.97Å; V96-T100 PolarHBondContact O-OG1 3.03Å; E97-T100 PolarHBondContact O-N 3.45Å; T100-L104 HydrophobicContact CG2-CD1 3.87Å; T100-Y110 WeakPolarHBondContact CG2-OH 3.07Å; T100-Y110 PolarHBondContact O-OH 3.37Å |
| 101 | D | 73.8 | Confident | 72.6 | Confident | 51 Ų | 51 | 86.2 Ų | 86.2 | 27% | 0.273 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -72.3 | -42.3 | 166.6 | -146.2 | -20.9 | 0 | 0 | 0 | 112.4 | E97 V98 F99 K114 | E97-D101 PolarHBondContact O-N 3.12Å; V98-D101 WeakPolarHBondContact O-CB 3.23Å; V98-D101 PolarHBondContact O-N 3.08Å; F99-D101 PolarHBondContact O-N 2.77Å; D101-K114 IonicContact OD1-NZ 2.81Å; D101-K114 PolarHBondContact OD1-NZ 2.9Å; D101-K114 IonicContact OD2-NZ 2.79Å; D101-K114 PolarHBondContact OD2-NZ 2.75Å |
| 102 | M | 75.7 | Confident | 72.5 | Confident | 135 Ų | 135 | 90.5 Ų | 90.5 | 67% | 0.665 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.8 | -41.8 | 179 | -167.1 | 68.1 | 66.1 | 0 | 0 | 112.7 | V98 F99 C105 | V98-M102 PolarHBondContact O-N 3.34Å; F99-M102 WeakPolarHBondContact O-CA 3.4Å; F99-M102 VanDerWaalsContact O-CB 3.25Å; F99-M102 WeakPolarHBondContact O-CB 3.06Å; F99-M102 PolarHBondContact O-N 3.07Å; M102-C105 PolarHBondContact O-SG 3.46Å |
| 103 | F | 72.3 | Confident | 72.4 | Confident | 128 Ų | 128 | 93.2 Ų | 93.2 | 56% | 0.561 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -80.7 | -24.5 | -171.9 | -76.2 | -84.6 | 0 | 0 | 0 | 115.2 | F99 | F99-F103 AromaticContact CD1-CD2 3.39Å; F99-F103 HydrophobicContact CD1-CD2 3.39Å; F99-F103 AromaticContact CD1-CE2 3.5Å; F99-F103 HydrophobicContact CD1-CE2 3.5Å; F99-F103 VanDerWaalsContact CD1-CE2 3.5Å; F99-F103 HydrophobicContact CD1-CG 4.49Å; F99-F103 HydrophobicContact CD2-CD2 4.11Å; F99-F103 AromaticContact CD2-CE2 3.39Å; F99-F103 HydrophobicContact CD2-CE2 3.39Å; F99-F103 HydrophobicContact CD2-CZ 4.27Å; F99-F103 AromaticContact CE1-CD2 3.3Å; F99-F103 HydrophobicContact CE1-CD2 3.3Å; F99-F103 AromaticContact CE1-CE2 3.2Å; F99-F103 HydrophobicContact CE1-CE2 3.2Å; F99-F103 HydrophobicContact CE1-CG 4.19Å; F99-F103 AromaticContact CE1-CZ 3.87Å; F99-F103 HydrophobicContact CE1-CZ 3.87Å; F99-F103 HydrophobicContact CE2-CD2 4.05Å; F99-F103 AromaticContact CE2-CE2 3.1Å; F99-F103 HydrophobicContact CE2-CE2 3.1Å; F99-F103 AromaticContact CE2-CZ 3.55Å; F99-F103 HydrophobicContact CE2-CZ 3.55Å; F99-F103 AromaticContact CG-CD2 3.8Å; F99-F103 HydrophobicContact CG-CD2 3.8Å; F99-F103 AromaticContact CG-CE2 3.58Å; F99-F103 HydrophobicContact CG-CE2 3.58Å; F99-F103 AromaticContact CZ-CD2 3.66Å; F99-F103 HydrophobicContact CZ-CD2 3.66Å; F99-F103 HydrophobicContact CZ-CE1 4.25Å; F99-F103 AromaticContact CZ-CE2 2.99Å; F99-F103 HydrophobicContact CZ-CE2 2.99Å; F99-F103 AromaticContact CZ-CZ 3.31Å; F99-F103 HydrophobicContact CZ-CZ 3.31Å; F99-F103 WeakPolarHBondContact O-CD2 3.45Å; F99-F103 PolarHBondContact O-N 2.96Å |
| 104 | L | 68.6 | Low | 72.4 | Confident | 56 Ų | 56 | 92.4 Ų | 92.4 | 29% | 0.293 | 47% | 0.465 | S | S | . | . | trans | -112.2 | 14.6 | -165.3 | -74.7 | 139.5 | 0 | 0 | 0 | 114.1 | T100 W106 L107 Y110 | T100-L104 HydrophobicContact CG2-CD1 3.87Å; L104-W106 PolarHBondContact O-N 3.14Å; L104-L107 PolarHBondContact O-N 3.39Å; L104-Y110 HydrophobicContact CB-CD1 3.52Å; L104-Y110 HydrophobicContact CB-CD2 3.96Å; L104-Y110 HydrophobicContact CB-CE1 3.18Å; L104-Y110 HydrophobicContact CB-CE2 3.72Å; L104-Y110 HydrophobicContact CB-CG 3.86Å; L104-Y110 HydrophobicContact CD1-CD2 4.34Å; L104-Y110 HydrophobicContact CD1-CE1 4.2Å; L104-Y110 HydrophobicContact CD1-CE2 3.48Å; L104-Y110 VanDerWaalsContact CD1-CE2 3.48Å; L104-Y110 WeakPolarHBondContact CD1-OH 3.4Å; L104-Y110 HydrophobicContact CD2-CD2 3.89Å; L104-Y110 HydrophobicContact CD2-CE2 3.85Å; L104-Y110 HydrophobicContact CD2-CG 4.43Å; L104-Y110 HydrophobicContact CG-CD2 4.25Å; L104-Y110 HydrophobicContact CG-CE1 4.18Å; L104-Y110 HydrophobicContact CG-CE2 3.84Å | ||
| 105 | C | 62.5 | Low | 72.3 | Confident | 99 Ų | 99 | 92 Ų | 92 | 67% | 0.669 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -6.7 | 174.9 | 50.4 | 0 | 0 | 0 | 0 | 115.3 | M102 | M102-C105 PolarHBondContact O-SG 3.46Š|
| 106 | W | 68.6 | Low | 72.1 | Confident | 233 Ų | 233 | 90.5 Ų | 90.5 | 88% | 0.883 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -23.5 | 179.5 | 172.9 | -72.7 | 0 | 0 | 0 | 114.3 | L104 | L104-W106 PolarHBondContact O-N 3.14Š|
| 107 | L | 64.3 | Low | 72 | Confident | 96 Ų | 96 | 92 Ų | 92 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | trans | -104.8 | 124 | -170.1 | -78.8 | 171.7 | 0 | 0 | 0 | 114 | L104 F109 Y110 | L104-L107 PolarHBondContact O-N 3.39Å; L107-F109 PolarHBondContact O-N 3.19Å; L107-Y110 VanDerWaalsContact O-CB 3.25Å; L107-Y110 WeakPolarHBondContact O-CB 3.2Å; L107-Y110 PolarHBondContact O-N 3.04Å | ||
| 108 | P | 61 | Low | 71.8 | Confident | 122 Ų | 122 | 91.3 Ų | 91.3 | 79% | 0.792 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -13.1 | -175.2 | 28.4 | -34.1 | 0 | 0 | 0 | 116 | ||
| 109 | F | 68.3 | Low | 71.5 | Confident | 165 Ų | 165 | 90 Ų | 90 | 72% | 0.724 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 3.7 | 174.4 | -148.9 | -96.9 | 0 | 0 | 0 | 112.9 | L107 L113 | L107-F109 PolarHBondContact O-N 3.19Å; F109-L113 HydrophobicContact CD1-CD1 4.36Å; F109-L113 HydrophobicContact CE1-CD1 4.3Å |
| 110 | Y | 66.5 | Low | 71.2 | Confident | 31 Ų | 31 | 89.9 Ų | 89.9 | 12% | 0.122 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -77.4 | -33 | -170 | 176.1 | -114.3 | 0 | 0 | 0 | 113.2 | T100 L104 L107 E112 L113 K114 | T100-Y110 WeakPolarHBondContact CG2-OH 3.07Å; T100-Y110 PolarHBondContact O-OH 3.37Å; L104-Y110 HydrophobicContact CB-CD1 3.52Å; L104-Y110 HydrophobicContact CB-CD2 3.96Å; L104-Y110 HydrophobicContact CB-CE1 3.18Å; L104-Y110 HydrophobicContact CB-CE2 3.72Å; L104-Y110 HydrophobicContact CB-CG 3.86Å; L104-Y110 HydrophobicContact CD1-CD2 4.34Å; L104-Y110 HydrophobicContact CD1-CE1 4.2Å; L104-Y110 HydrophobicContact CD1-CE2 3.48Å; L104-Y110 VanDerWaalsContact CD1-CE2 3.48Å; L104-Y110 WeakPolarHBondContact CD1-OH 3.4Å; L104-Y110 HydrophobicContact CD2-CD2 3.89Å; L104-Y110 HydrophobicContact CD2-CE2 3.85Å; L104-Y110 HydrophobicContact CD2-CG 4.43Å; L104-Y110 HydrophobicContact CG-CD2 4.25Å; L104-Y110 HydrophobicContact CG-CE1 4.18Å; L104-Y110 HydrophobicContact CG-CE2 3.84Å; L107-Y110 VanDerWaalsContact O-CB 3.25Å; L107-Y110 WeakPolarHBondContact O-CB 3.2Å; L107-Y110 PolarHBondContact O-N 3.04Å; Y110-E112 VanDerWaalsContact C-N 3.34Å; Y110-E112 PolarHBondContact O-N 3.21Å; Y110-L113 PolarHBondContact O-N 2.85Å; Y110-K114 HydrophobicContact CD1-CB 4.04Å; Y110-K114 HydrophobicContact CD1-CD 4.1Å; Y110-K114 HydrophobicContact CD1-CG 4.4Å; Y110-K114 HydrophobicContact CD2-CB 4.26Å; Y110-K114 HydrophobicContact CE1-CB 3.74Å; Y110-K114 HydrophobicContact CE1-CD 3.47Å; Y110-K114 VanDerWaalsContact CE1-CD 3.47Å; Y110-K114 HydrophobicContact CE1-CG 3.68Å; Y110-K114 HydrophobicContact CE2-CB 3.92Å; Y110-K114 HydrophobicContact CE2-CG 4.39Å; Y110-K114 HydrophobicContact CG-CB 4.3Å; Y110-K114 WeakPolarHBondContact O-CA 3.33Å; Y110-K114 WeakPolarHBondContact O-CB 3.2Å; Y110-K114 PolarHBondContact O-N 2.65Å |
| 111 | Y | 66.8 | Low | 71 | Confident | 87 Ų | 87 | 89.5 Ų | 89.5 | 34% | 0.341 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.4 | -37.4 | -172.9 | -69.5 | -82.4 | 0 | 0 | 0 | 114.2 | I115 | Y111-I115 WeakPolarHBondContact O-CG1 3.31Å; Y111-I115 PolarHBondContact O-N 3.2Å |
| 112 | E | 76.9 | Confident | 70.7 | Confident | 141 Ų | 141 | 88.6 Ų | 88.6 | 66% | 0.659 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -71.3 | -48 | 177.7 | -63.3 | -60.6 | 150.1 | 0 | 0 | 111.7 | Y110 K114 A116 | Y110-E112 VanDerWaalsContact C-N 3.34Å; Y110-E112 PolarHBondContact O-N 3.21Å; E112-K114 VanDerWaalsContact C-N 3.28Å; E112-K114 PolarHBondContact O-N 3.26Å; E112-A116 WeakPolarHBondContact O-CB 3.3Å; E112-A116 PolarHBondContact O-N 3.04Å; E112-A116 VanDerWaalsContact O-N 3.08Å |
| 113 | L | 72.6 | Confident | 70.1 | Confident | 114 Ų | 114 | 83.7 Ų | 83.7 | 60% | 0.597 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -65.8 | -32.4 | 174.5 | -104.7 | 76.5 | 0 | 0 | 0 | 112 | F109 Y110 F117 | F109-L113 HydrophobicContact CD1-CD1 4.36Å; F109-L113 HydrophobicContact CE1-CD1 4.3Å; Y110-L113 PolarHBondContact O-N 2.85Å; L113-F117 WeakPolarHBondContact O-CB 3.03Å; L113-F117 PolarHBondContact O-N 2.98Å |
| 114 | K | 75.2 | Confident | 69.2 | Low | 10 Ų | 10 | 83.4 Ų | 83.4 | 4% | 0.043 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.5 | -52.8 | 178.4 | 179.1 | -167.4 | -175.7 | 179.4 | 0 | 109.9 | D101 Y110 E112 A116 F117 V118 | D101-K114 IonicContact OD1-NZ 2.81Å; D101-K114 PolarHBondContact OD1-NZ 2.9Å; D101-K114 IonicContact OD2-NZ 2.79Å; D101-K114 PolarHBondContact OD2-NZ 2.75Å; Y110-K114 HydrophobicContact CD1-CB 4.04Å; Y110-K114 HydrophobicContact CD1-CD 4.1Å; Y110-K114 HydrophobicContact CD1-CG 4.4Å; Y110-K114 HydrophobicContact CD2-CB 4.26Å; Y110-K114 HydrophobicContact CE1-CB 3.74Å; Y110-K114 HydrophobicContact CE1-CD 3.47Å; Y110-K114 VanDerWaalsContact CE1-CD 3.47Å; Y110-K114 HydrophobicContact CE1-CG 3.68Å; Y110-K114 HydrophobicContact CE2-CB 3.92Å; Y110-K114 HydrophobicContact CE2-CG 4.39Å; Y110-K114 HydrophobicContact CG-CB 4.3Å; Y110-K114 WeakPolarHBondContact O-CA 3.33Å; Y110-K114 WeakPolarHBondContact O-CB 3.2Å; Y110-K114 PolarHBondContact O-N 2.65Å; E112-K114 VanDerWaalsContact C-N 3.28Å; E112-K114 PolarHBondContact O-N 3.26Å; K114-A116 VanDerWaalsContact C-N 3.33Å; K114-A116 PolarHBondContact O-N 3.13Å; K114-F117 PolarHBondContact O-N 3.32Å; K114-V118 HydrophobicContact CG-CG2 4.35Å; K114-V118 VanDerWaalsContact O-CB 3.28Å; K114-V118 WeakPolarHBondContact O-CB 3.35Å; K114-V118 WeakPolarHBondContact O-CG2 3.43Å; K114-V118 PolarHBondContact O-N 3.39Å |
| 115 | I | 75 | Confident | 68.2 | Low | 37 Ų | 37 | 88.2 Ų | 88.2 | 19% | 0.19 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | -179.7 | -64.6 | 173.9 | 0 | 0 | 0 | 110 | S48 Y111 F117 V118 V119 | S48-I115 WeakPolarHBondContact OG-CD1 3.45Å; Y111-I115 WeakPolarHBondContact O-CG1 3.31Å; Y111-I115 PolarHBondContact O-N 3.2Å; I115-F117 PolarHBondContact O-N 2.96Å; I115-V118 PolarHBondContact O-N 3.29Å; I115-V119 HydrophobicContact CG2-CG2 4.16Å; I115-V119 VanDerWaalsContact O-CB 3.28Å; I115-V119 WeakPolarHBondContact O-CB 3.32Å; I115-V119 VanDerWaalsContact O-CG2 3.23Å; I115-V119 WeakPolarHBondContact O-CG2 3.14Å; I115-V119 PolarHBondContact O-N 3.38Å |
| 116 | A | 76.9 | Confident | 67.5 | Low | 63 Ų | 63 | 86 Ų | 86 | 52% | 0.521 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E112 K114 W120 | E112-A116 WeakPolarHBondContact O-CB 3.3Å; E112-A116 PolarHBondContact O-N 3.04Å; E112-A116 VanDerWaalsContact O-N 3.08Å; K114-A116 VanDerWaalsContact C-N 3.33Å; K114-A116 PolarHBondContact O-N 3.13Å; A116-W120 WeakPolarHBondContact O-CB 3.45Å; A116-W120 PolarHBondContact O-N 2.86Å |
| 117 | F | 74.6 | Confident | 66.8 | Low | 101 Ų | 101 | 83 Ų | 83 | 44% | 0.443 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 178.6 | -174.2 | -107 | 0 | 0 | 0 | 112.3 | L113 K114 I115 W120 L121 | L113-F117 WeakPolarHBondContact O-CB 3.03Å; L113-F117 PolarHBondContact O-N 2.98Å; K114-F117 PolarHBondContact O-N 3.32Å; I115-F117 PolarHBondContact O-N 2.96Å; F117-W120 HydrophobicContact CD2-CE3 4.25Å; F117-W120 HydrophobicContact CE2-CE3 4.29Å; F117-W120 HydrophobicContact CE2-CZ3 4.26Å; F117-W120 PolarHBondContact O-N 3.43Å; F117-L121 HydrophobicContact CD1-CD1 3.69Å; F117-L121 HydrophobicContact CD1-CG 4.38Å; F117-L121 HydrophobicContact CE1-CD1 3.28Å; F117-L121 HydrophobicContact CE1-CG 4.15Å; F117-L121 HydrophobicContact CE2-CD1 4.37Å; F117-L121 HydrophobicContact CE2-CG 4.44Å; F117-L121 HydrophobicContact CG-CD1 4.41Å; F117-L121 HydrophobicContact CZ-CD1 3.67Å; F117-L121 HydrophobicContact CZ-CD2 4.48Å; F117-L121 HydrophobicContact CZ-CG 4.18Å; F117-L121 WeakPolarHBondContact O-CB 3.42Å; F117-L121 VanDerWaalsContact O-CG 3.28Å; F117-L121 WeakPolarHBondContact O-CG 3.21Å; F117-L121 PolarHBondContact O-N 3.26Å |
| 118 | V | 73.1 | Confident | 66.5 | Low | 8 Ų | 8 | 78.9 Ų | 78.9 | 5% | 0.048 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 174.8 | 166.8 | 0 | 0 | 0 | 0 | 109.8 | V56 F93 K114 I115 W120 L121 L122 | V56-V118 HydrophobicContact CG2-CG1 3.82Å; F93-V118 HydrophobicContact CZ-CG1 4.09Å; K114-V118 HydrophobicContact CG-CG2 4.35Å; K114-V118 VanDerWaalsContact O-CB 3.28Å; K114-V118 WeakPolarHBondContact O-CB 3.35Å; K114-V118 WeakPolarHBondContact O-CG2 3.43Å; K114-V118 PolarHBondContact O-N 3.39Å; I115-V118 PolarHBondContact O-N 3.29Å; V118-W120 VanDerWaalsContact C-N 3.34Å; V118-W120 PolarHBondContact O-N 3.49Å; V118-L121 PolarHBondContact O-N 3.22Å; V118-L122 WeakPolarHBondContact O-CB 3.42Å; V118-L122 PolarHBondContact O-N 3.13Å |
| 119 | V | 74.7 | Confident | 66.2 | Low | 60 Ų | 60 | 74.7 Ų | 74.7 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | V55 I115 L121 L122 S123 | V55-V119 HydrophobicContact CG1-CG2 3.86Å; I115-V119 HydrophobicContact CG2-CG2 4.16Å; I115-V119 VanDerWaalsContact O-CB 3.28Å; I115-V119 WeakPolarHBondContact O-CB 3.32Å; I115-V119 VanDerWaalsContact O-CG2 3.23Å; I115-V119 WeakPolarHBondContact O-CG2 3.14Å; I115-V119 PolarHBondContact O-N 3.38Å; V119-L121 VanDerWaalsContact C-N 3.34Å; V119-L121 PolarHBondContact O-N 3.35Å; V119-L122 PolarHBondContact O-N 3.31Å; V119-S123 WeakPolarHBondContact O-CA 3.41Å; V119-S123 WeakPolarHBondContact O-CB 3.49Å; V119-S123 PolarHBondContact O-N 3.04Å |
| 120 | W | 74.4 | Confident | 65.6 | Low | 122 Ų | 122 | 69.9 Ų | 69.9 | 46% | 0.462 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.4 | -35 | 177.5 | -177.7 | 79.3 | 0 | 0 | 0 | 112.7 | A116 F117 V118 T126 G128 | A116-W120 WeakPolarHBondContact O-CB 3.45Å; A116-W120 PolarHBondContact O-N 2.86Å; F117-W120 HydrophobicContact CD2-CE3 4.25Å; F117-W120 HydrophobicContact CE2-CE3 4.29Å; F117-W120 HydrophobicContact CE2-CZ3 4.26Å; F117-W120 PolarHBondContact O-N 3.43Å; V118-W120 VanDerWaalsContact C-N 3.34Å; V118-W120 PolarHBondContact O-N 3.49Å; W120-T126 PolarHBondContact O-OG1 3.19Å; W120-G128 VanDerWaalsContact CZ2-CA 3.49Å |
| 121 | L | 69.4 | Low | 65.2 | Low | 21 Ų | 21 | 73.2 Ų | 73.2 | 11% | 0.11 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -78 | -34.6 | 173.3 | -73.6 | 175.7 | 0 | 0 | 0 | 113 | F93 F117 V118 V119 S129 L132 | F93-L121 HydrophobicContact CD2-CB 4.47Å; F93-L121 HydrophobicContact CE2-CB 3.59Å; F93-L121 HydrophobicContact CE2-CD1 4.3Å; F93-L121 HydrophobicContact CZ-CB 4.41Å; F117-L121 HydrophobicContact CD1-CD1 3.69Å; F117-L121 HydrophobicContact CD1-CG 4.38Å; F117-L121 HydrophobicContact CE1-CD1 3.28Å; F117-L121 HydrophobicContact CE1-CG 4.15Å; F117-L121 HydrophobicContact CE2-CD1 4.37Å; F117-L121 HydrophobicContact CE2-CG 4.44Å; F117-L121 HydrophobicContact CG-CD1 4.41Å; F117-L121 HydrophobicContact CZ-CD1 3.67Å; F117-L121 HydrophobicContact CZ-CD2 4.48Å; F117-L121 HydrophobicContact CZ-CG 4.18Å; F117-L121 WeakPolarHBondContact O-CB 3.42Å; F117-L121 VanDerWaalsContact O-CG 3.28Å; F117-L121 WeakPolarHBondContact O-CG 3.21Å; F117-L121 PolarHBondContact O-N 3.26Å; V118-L121 PolarHBondContact O-N 3.22Å; V119-L121 VanDerWaalsContact C-N 3.34Å; V119-L121 PolarHBondContact O-N 3.35Å; L121-S129 WeakPolarHBondContact O-CB 3.45Å; L121-L132 HydrophobicContact CD2-CD2 4.14Å |
| 122 | L | 66.6 | Low | 65.1 | Low | 31 Ų | 31 | 72 Ų | 72 | 16% | 0.162 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -79.7 | -27.5 | -179.4 | -152.6 | 86.3 | 0 | 0 | 0 | 112 | V56 F59 F93 V118 V119 P124 | V56-L122 HydrophobicContact CG2-CD2 4.29Å; F59-L122 HydrophobicContact CB-CD2 4.03Å; F93-L122 HydrophobicContact CD1-CD1 3.24Å; F93-L122 HydrophobicContact CD2-CD1 4.2Å; F93-L122 HydrophobicContact CE1-CD1 2.98Å; F93-L122 HydrophobicContact CE1-CG 4.31Å; F93-L122 HydrophobicContact CE2-CD1 3.94Å; F93-L122 HydrophobicContact CG-CD1 3.88Å; F93-L122 HydrophobicContact CZ-CB 4.11Å; F93-L122 HydrophobicContact CZ-CD1 3.33Å; F93-L122 HydrophobicContact CZ-CG 4.35Å; V118-L122 WeakPolarHBondContact O-CB 3.42Å; V118-L122 PolarHBondContact O-N 3.13Å; V119-L122 PolarHBondContact O-N 3.31Å; L122-P124 WeakPolarHBondContact O-CD 3.4Å |
| 123 | S | 64.1 | Low | 64 | Low | 32 Ų | 32 | 68.8 Ų | 68.8 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | trans | -67.4 | 113.4 | -179.3 | 177.5 | 0 | 0 | 0 | 0 | 109.2 | V119 Y125 T126 | V119-S123 WeakPolarHBondContact O-CA 3.41Å; V119-S123 WeakPolarHBondContact O-CB 3.49Å; V119-S123 PolarHBondContact O-N 3.04Å; S123-Y125 PolarHBondContact O-N 3.26Å; S123-Y125 VanDerWaalsContact O-N 3.1Å; S123-Y125 WeakPolarHBondContact OG-CB 3.16Å; S123-Y125 PolarHBondContact OG-N 3.1Å; S123-T126 WeakPolarHBondContact CB-OG1 3.3Å; S123-T126 PolarHBondContact OG-OG1 3.38Å | ||
| 124 | P | 54 | Low | 63.4 | Low | 122 Ų | 122 | 71 Ų | 71 | 79% | 0.792 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -4.2 | 173 | 30.4 | -34.6 | 0 | 0 | 0 | 112.4 | L122 | L122-P124 WeakPolarHBondContact O-CD 3.4Š|
| 125 | Y | 46.3 | Very low | 62.5 | Low | 158 Ų | 158 | 78 Ų | 78 | 62% | 0.62 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -31.7 | -174.2 | -162.9 | -98.6 | 0 | 0 | 0 | 113.1 | S123 E256 | S123-Y125 PolarHBondContact O-N 3.26Å; S123-Y125 VanDerWaalsContact O-N 3.1Å; S123-Y125 WeakPolarHBondContact OG-CB 3.16Å; S123-Y125 PolarHBondContact OG-N 3.1Å; Y125-E256 WeakPolarHBondContact CE2-OE2 3.05Å; Y125-E256 VanDerWaalsContact CZ-OE2 3.27Å; Y125-E256 PolarHBondContact OH-OE2 3.26Å |
| 126 | T | 48.7 | Very low | 61.8 | Low | 51 Ų | 51 | 82.4 Ų | 82.4 | 31% | 0.313 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -95.4 | 121.5 | 178.2 | 40.7 | 0 | 0 | 0 | 0 | 110.1 | W120 S123 G128 | W120-T126 PolarHBondContact O-OG1 3.19Å; S123-T126 WeakPolarHBondContact CB-OG1 3.3Å; S123-T126 PolarHBondContact OG-OG1 3.38Å; T126-G128 PolarHBondContact O-N 3.43Å |
| 127 | K | 53.1 | Low | 61 | Low | 171 Ų | 171 | 80 Ų | 80 | 74% | 0.743 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 6 | -175.8 | -70.3 | -176.1 | 155.1 | 72.9 | 0 | 117.6 | ||
| 128 | G | 58.9 | Low | 60 | Low | 9 Ų | 9 | 80.1 Ų | 80.1 | 9% | 0.093 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.4 | -38 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | W120 T126 S130 | W120-G128 VanDerWaalsContact CZ2-CA 3.49Å; T126-G128 PolarHBondContact O-N 3.43Å; G128-S130 VanDerWaalsContact C-N 3.33Å; G128-S130 PolarHBondContact O-N 3.47Å |
| 129 | S | 54.7 | Low | 59.2 | Low | 34 Ų | 34 | 83 Ų | 83 | 24% | 0.238 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.7 | -33.5 | 176.9 | 76.2 | 0 | 0 | 0 | 0 | 112 | L121 V131 L132 Y133 | L121-S129 WeakPolarHBondContact O-CB 3.45Å; S129-V131 PolarHBondContact O-N 2.83Å; S129-L132 PolarHBondContact O-N 2.92Å; S129-Y133 VanDerWaalsContact O-CB 3.3Å; S129-Y133 WeakPolarHBondContact O-CB 3.47Å; S129-Y133 PolarHBondContact O-N 3.49Å |
| 130 | S | 54.9 | Low | 58.4 | Low | 64 Ų | 64 | 82 Ų | 82 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.7 | -32.5 | -179.6 | -53.5 | 0 | 0 | 0 | 0 | 114 | G128 R134 | G128-S130 VanDerWaalsContact C-N 3.33Å; G128-S130 PolarHBondContact O-N 3.47Å; S130-R134 PolarHBondContact O-N 3.11Å |
| 131 | V | 57.9 | Low | 57.6 | Low | 101 Ų | 101 | 77.9 Ų | 77.9 | 61% | 0.612 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -74.4 | -42.5 | 176.1 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | S129 Y133 R134 K135 | S129-V131 PolarHBondContact O-N 2.83Å; V131-Y133 VanDerWaalsContact C-N 3.25Å; V131-Y133 PolarHBondContact O-N 3.31Å; V131-R134 PolarHBondContact O-N 3.41Å; V131-K135 WeakPolarHBondContact O-CB 3.28Å; V131-K135 PolarHBondContact O-N 3.2Å; V131-K135 VanDerWaalsContact O-N 3.14Å |
| 132 | L | 64.7 | Low | 56.9 | Low | 63 Ų | 63 | 79.4 Ų | 79.4 | 33% | 0.33 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.6 | -35.3 | 173.9 | -167.4 | 74.4 | 0 | 0 | 0 | 111.1 | L121 S129 K135 F136 V137 | L121-L132 HydrophobicContact CD2-CD2 4.14Å; S129-L132 PolarHBondContact O-N 2.92Å; L132-K135 PolarHBondContact O-N 3.02Å; L132-F136 HydrophobicContact CD1-CB 4.33Å; L132-F136 HydrophobicContact CD1-CD2 3.41Å; L132-F136 VanDerWaalsContact CD1-CD2 3.41Å; L132-F136 HydrophobicContact CD1-CE2 3.91Å; L132-F136 HydrophobicContact CD1-CG 4.04Å; L132-F136 HydrophobicContact CG-CB 4.49Å; L132-F136 HydrophobicContact CG-CD2 4.3Å; L132-F136 WeakPolarHBondContact O-CB 3.14Å; L132-F136 PolarHBondContact O-N 2.92Å; L132-V137 PolarHBondContact O-N 3.48Å |
| 133 | Y | 54.2 | Low | 56.4 | Low | 73 Ų | 73 | 81.2 Ų | 81.2 | 29% | 0.286 | 42% | 0.421 | S | S | . | . | I | π-helix | trans | -61.9 | -52 | 177 | -158.5 | -92.2 | 0 | 0 | 0 | 112.3 | I89 S129 V131 K135 V137 H138 | I89-Y133 HydrophobicContact CD1-CE2 3.37Å; I89-Y133 WeakPolarHBondContact CD1-OH 3.11Å; I89-Y133 HydrophobicContact CG1-CE2 3.73Å; I89-Y133 HydrophobicContact CG2-CD2 4.46Å; I89-Y133 HydrophobicContact CG2-CE2 4.23Å; S129-Y133 VanDerWaalsContact O-CB 3.3Å; S129-Y133 WeakPolarHBondContact O-CB 3.47Å; S129-Y133 PolarHBondContact O-N 3.49Å; V131-Y133 VanDerWaalsContact C-N 3.25Å; V131-Y133 PolarHBondContact O-N 3.31Å; Y133-K135 VanDerWaalsContact C-N 3.33Å; Y133-K135 PolarHBondContact O-N 3.46Å; Y133-V137 HydrophobicContact CD2-CB 3.95Å; Y133-V137 HydrophobicContact CD2-CG1 3.91Å; Y133-V137 HydrophobicContact CD2-CG2 3.92Å; Y133-V137 HydrophobicContact CE1-CG1 4.4Å; Y133-V137 HydrophobicContact CE2-CB 4.21Å; Y133-V137 HydrophobicContact CE2-CG1 3.65Å; Y133-V137 HydrophobicContact CE2-CG2 4.42Å; Y133-V137 HydrophobicContact CG-CB 4.15Å; Y133-V137 HydrophobicContact CG-CG1 4.4Å; Y133-V137 HydrophobicContact CG-CG2 4.4Å; Y133-V137 VanDerWaalsContact O-CB 3.3Å; Y133-V137 WeakPolarHBondContact O-CB 3.39Å; Y133-V137 PolarHBondContact O-N 3.48Å; Y133-H138 PolarHBondContact O-N 3.19Å |
| 134 | R | 59.8 | Low | 56.2 | Low | 159 Ų | 159 | 85 Ų | 85 | 60% | 0.6 | 43% | 0.433 | S | S | * | . | I | π-helix | trans | -65.7 | -32.1 | 178.8 | -79.5 | -178.3 | 165.5 | 159.5 | -4.4 | 113.4 | S130 V131 E245 | S130-R134 PolarHBondContact O-N 3.11Å; V131-R134 PolarHBondContact O-N 3.41Å; R134-E245 IonicContact CZ-OE1 3.55Å; R134-E245 IonicContact NE-OE1 3.59Å; R134-E245 IonicContact NH2-OE1 2.75Å; R134-E245 PolarHBondContact NH2-OE1 3.22Å |
| 135 | K | 57.5 | Low | 56.7 | Low | 157 Ų | 157 | 85.2 Ų | 85.2 | 68% | 0.683 | 42% | 0.423 | S | S | * | . | I | π-helix | trans | -94.4 | -34.2 | -173.7 | -83.5 | -83.3 | -175 | 171.2 | 0 | 115.4 | V131 L132 Y133 P139 | V131-K135 WeakPolarHBondContact O-CB 3.28Å; V131-K135 PolarHBondContact O-N 3.2Å; V131-K135 VanDerWaalsContact O-N 3.14Å; L132-K135 PolarHBondContact O-N 3.02Å; Y133-K135 VanDerWaalsContact C-N 3.33Å; Y133-K135 PolarHBondContact O-N 3.46Å; K135-P139 WeakPolarHBondContact O-CG 3.42Å |
| 136 | F | 58.6 | Low | 57.4 | Low | 131 Ų | 131 | 84.5 Ų | 84.5 | 58% | 0.575 | 42% | 0.424 | S | S | * | . | I | π-helix | trans | -114.7 | -41.1 | -175.5 | -73.8 | -91.1 | 0 | 0 | 0 | 112.2 | L132 T140 | L132-F136 HydrophobicContact CD1-CB 4.33Å; L132-F136 HydrophobicContact CD1-CD2 3.41Å; L132-F136 VanDerWaalsContact CD1-CD2 3.41Å; L132-F136 HydrophobicContact CD1-CE2 3.91Å; L132-F136 HydrophobicContact CD1-CG 4.04Å; L132-F136 HydrophobicContact CG-CB 4.49Å; L132-F136 HydrophobicContact CG-CD2 4.3Å; L132-F136 WeakPolarHBondContact O-CB 3.14Å; L132-F136 PolarHBondContact O-N 2.92Å; F136-T140 WeakPolarHBondContact O-CB 3.39Å; F136-T140 PolarHBondContact O-N 3.09Å; F136-T140 VanDerWaalsContact O-N 3.08Å; F136-T140 PolarHBondContact O-OG1 3.27Å |
| 137 | V | 60.4 | Low | 58.3 | Low | 13 Ų | 13 | 85.5 Ų | 85.5 | 8% | 0.079 | 43% | 0.427 | C | S | . | . | I | π-helix | trans | -72.6 | -46.5 | -176.5 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | I89 L132 Y133 T140 L141 | I89-V137 HydrophobicContact CG1-CG1 3.91Å; L132-V137 PolarHBondContact O-N 3.48Å; Y133-V137 HydrophobicContact CD2-CB 3.95Å; Y133-V137 HydrophobicContact CD2-CG1 3.91Å; Y133-V137 HydrophobicContact CD2-CG2 3.92Å; Y133-V137 HydrophobicContact CE1-CG1 4.4Å; Y133-V137 HydrophobicContact CE2-CB 4.21Å; Y133-V137 HydrophobicContact CE2-CG1 3.65Å; Y133-V137 HydrophobicContact CE2-CG2 4.42Å; Y133-V137 HydrophobicContact CG-CB 4.15Å; Y133-V137 HydrophobicContact CG-CG1 4.4Å; Y133-V137 HydrophobicContact CG-CG2 4.4Å; Y133-V137 VanDerWaalsContact O-CB 3.3Å; Y133-V137 WeakPolarHBondContact O-CB 3.39Å; Y133-V137 PolarHBondContact O-N 3.48Å; V137-T140 PolarHBondContact O-N 3.45Å; V137-L141 HydrophobicContact CG1-CD1 3.37Å; V137-L141 HydrophobicContact CG1-CG 3.97Å; V137-L141 WeakPolarHBondContact O-CB 3.41Å; V137-L141 PolarHBondContact O-N 3.05Å |
| 138 | H | 53.9 | Low | 59.1 | Low | 103 Ų | 103 | 81.7 Ų | 81.7 | 48% | 0.477 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.3 | -48.7 | -179.8 | -154.4 | -84.2 | 0 | 0 | 0 | 113.9 | Y133 S142 | Y133-H138 PolarHBondContact O-N 3.19Å; H138-S142 PolarHBondContact O-N 3.32Å |
| 139 | P | 56.8 | Low | 60 | Low | 68 Ų | 68 | 85.9 Ų | 85.9 | 44% | 0.442 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -75.6 | -31.9 | 176.2 | 27.7 | -33.6 | 0 | 0 | 0 | 113.5 | K135 S143 | K135-P139 WeakPolarHBondContact O-CG 3.42Å; P139-S143 WeakPolarHBondContact O-CB 3.25Å; P139-S143 PolarHBondContact O-N 3.33Å; P139-S143 VanDerWaalsContact O-N 3.08Å |
| 140 | T | 56.7 | Low | 61.2 | Low | 39 Ų | 39 | 90.3 Ų | 90.3 | 24% | 0.239 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -75.7 | -38.4 | -177.3 | -57 | 0 | 0 | 0 | 0 | 112.4 | L92 F136 V137 K144 | L92-T140 HydrophobicContact CD1-CG2 4.37Å; L92-T140 HydrophobicContact CD2-CG2 4.43Å; F136-T140 WeakPolarHBondContact O-CB 3.39Å; F136-T140 PolarHBondContact O-N 3.09Å; F136-T140 VanDerWaalsContact O-N 3.08Å; F136-T140 PolarHBondContact O-OG1 3.27Å; V137-T140 PolarHBondContact O-N 3.45Å; T140-K144 HydrophobicContact CG2-CD 4.26Å; T140-K144 HydrophobicContact CG2-CG 4.29Å; T140-K144 WeakPolarHBondContact O-CB 3.44Å; T140-K144 WeakPolarHBondContact O-CG 3.41Å; T140-K144 PolarHBondContact O-N 2.94Å |
| 141 | L | 57.5 | Low | 62.1 | Low | 35 Ų | 35 | 95.1 Ų | 95.1 | 18% | 0.183 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -67.4 | -50.9 | 176.3 | -78.6 | 176.4 | 0 | 0 | 0 | 111.4 | I88 I89 V137 S143 K144 E145 | I88-L141 HydrophobicContact CB-CD2 3.93Å; I88-L141 HydrophobicContact CD1-CD2 4.29Å; I88-L141 HydrophobicContact CG2-CD2 3.25Å; I89-L141 HydrophobicContact CG1-CD1 4.42Å; V137-L141 HydrophobicContact CG1-CD1 3.37Å; V137-L141 HydrophobicContact CG1-CG 3.97Å; V137-L141 WeakPolarHBondContact O-CB 3.41Å; V137-L141 PolarHBondContact O-N 3.05Å; L141-S143 PolarHBondContact O-N 3.36Å; L141-K144 PolarHBondContact O-N 2.93Å; L141-E145 VanDerWaalsContact O-CB 3.31Å; L141-E145 WeakPolarHBondContact O-CB 3.44Å; L141-E145 PolarHBondContact O-N 3.07Å |
| 142 | S | 54.8 | Low | 63.3 | Low | 54 Ų | 54 | 95 Ų | 95 | 38% | 0.378 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.2 | -31.8 | -176.3 | -170.9 | 0 | 0 | 0 | 0 | 113.4 | H138 | H138-S142 PolarHBondContact O-N 3.32Å |
| 143 | S | 56.8 | Low | 63.8 | Low | 69 Ų | 69 | 94.9 Ų | 94.9 | 48% | 0.483 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -75.6 | -44.2 | 174.7 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | P139 L141 D147 | P139-S143 WeakPolarHBondContact O-CB 3.25Å; P139-S143 PolarHBondContact O-N 3.33Å; P139-S143 VanDerWaalsContact O-N 3.08Å; L141-S143 PolarHBondContact O-N 3.36Å; S143-D147 PolarHBondContact O-N 3.2Å |
| 144 | K | 60.5 | Low | 65.3 | Low | 111 Ų | 111 | 95.2 Ų | 95.2 | 48% | 0.483 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -76.1 | -26.4 | -176.8 | -70.8 | -154 | 169.8 | 73.9 | 0 | 113.6 | T140 L141 D147 I148 | T140-K144 HydrophobicContact CG2-CD 4.26Å; T140-K144 HydrophobicContact CG2-CG 4.29Å; T140-K144 WeakPolarHBondContact O-CB 3.44Å; T140-K144 WeakPolarHBondContact O-CG 3.41Å; T140-K144 PolarHBondContact O-N 2.94Å; L141-K144 PolarHBondContact O-N 2.93Å; K144-D147 PolarHBondContact O-N 3.38Å; K144-I148 HydrophobicContact CB-CD1 4.12Å; K144-I148 VanDerWaalsContact O-CB 3.24Å; K144-I148 WeakPolarHBondContact O-CB 3.48Å; K144-I148 WeakPolarHBondContact O-CD1 3.32Å; K144-I148 WeakPolarHBondContact O-CG1 3.47Å; K144-I148 PolarHBondContact O-N 3.29Å |
| 145 | E | 63.3 | Low | 66.5 | Low | 126 Ų | 126 | 90.4 Ų | 90.4 | 59% | 0.589 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -58.4 | -48.8 | 173.5 | -177.7 | 176.5 | -173 | 0 | 0 | 111.4 | L141 I148 D149 | L141-E145 VanDerWaalsContact O-CB 3.31Å; L141-E145 WeakPolarHBondContact O-CB 3.44Å; L141-E145 PolarHBondContact O-N 3.07Å; E145-I148 PolarHBondContact O-N 2.71Å; E145-D149 WeakPolarHBondContact O-CB 3.43Å; E145-D149 PolarHBondContact O-N 3.35Å |
| 146 | K | 61.1 | Low | 67.8 | Low | 144 Ų | 144 | 88 Ų | 88 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.9 | -44 | 178.8 | -68.1 | 174.6 | -179.1 | 163 | 0 | 112.1 | E150 | K146-E150 WeakPolarHBondContact O-CB 3.15Å; K146-E150 PolarHBondContact O-N 2.75Å |
| 147 | D | 67.3 | Low | 69.3 | Low | 72 Ų | 72 | 86.3 Ų | 86.3 | 39% | 0.385 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 177.2 | -66.3 | -33.4 | 0 | 0 | 0 | 110.9 | S143 K144 E150 Y151 | S143-D147 PolarHBondContact O-N 3.2Å; K144-D147 PolarHBondContact O-N 3.38Å; D147-E150 PolarHBondContact O-N 3.38Å; D147-Y151 HydrophobicContact CB-CD2 4.49Å; D147-Y151 WeakPolarHBondContact O-CD2 3.12Å; D147-Y151 PolarHBondContact O-N 3.43Å |
| 148 | I | 71.3 | Confident | 70.7 | Confident | 90 Ų | 90 | 91.6 Ų | 91.6 | 46% | 0.462 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | -178.4 | -67.9 | 161.5 | 0 | 0 | 0 | 110.9 | K144 E145 E150 Y151 I152 | K144-I148 HydrophobicContact CB-CD1 4.12Å; K144-I148 VanDerWaalsContact O-CB 3.24Å; K144-I148 WeakPolarHBondContact O-CB 3.48Å; K144-I148 WeakPolarHBondContact O-CD1 3.32Å; K144-I148 WeakPolarHBondContact O-CG1 3.47Å; K144-I148 PolarHBondContact O-N 3.29Å; E145-I148 PolarHBondContact O-N 2.71Å; I148-E150 VanDerWaalsContact C-N 3.33Å; I148-E150 PolarHBondContact O-N 3.11Å; I148-Y151 PolarHBondContact O-N 3.45Å; I148-I152 HydrophobicContact CG2-CD1 3.57Å; I148-I152 HydrophobicContact CG2-CG1 4.23Å; I148-I152 WeakPolarHBondContact O-CB 3.49Å; I148-I152 VanDerWaalsContact O-CG1 3.23Å; I148-I152 WeakPolarHBondContact O-CG1 3.31Å; I148-I152 PolarHBondContact O-N 3.11Å |
| 149 | D | 76.6 | Confident | 72.3 | Confident | 98 Ų | 98 | 89.8 Ų | 89.8 | 52% | 0.524 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 176 | -87.2 | -7.7 | 0 | 0 | 0 | 111.7 | E145 I152 C153 | E145-D149 WeakPolarHBondContact O-CB 3.43Å; E145-D149 PolarHBondContact O-N 3.35Å; D149-I152 PolarHBondContact O-N 3.06Å; D149-C153 WeakPolarHBondContact O-CB 2.99Å; D149-C153 PolarHBondContact O-N 2.93Å |
| 150 | E | 79.6 | Confident | 73.9 | Confident | 126 Ų | 126 | 93.1 Ų | 93.1 | 59% | 0.589 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 174.4 | -168.4 | 170.6 | 177.5 | 0 | 0 | 111.3 | K146 D147 I148 C153 Q154 | K146-E150 WeakPolarHBondContact O-CB 3.15Å; K146-E150 PolarHBondContact O-N 2.75Å; D147-E150 PolarHBondContact O-N 3.38Å; I148-E150 VanDerWaalsContact C-N 3.33Å; I148-E150 PolarHBondContact O-N 3.11Å; E150-C153 PolarHBondContact O-N 3.3Å; E150-Q154 WeakPolarHBondContact O-CB 3.34Å; E150-Q154 PolarHBondContact O-N 3.46Å |
| 151 | Y | 75.6 | Confident | 75.5 | Confident | 166 Ų | 166 | 96.9 Ų | 96.9 | 65% | 0.651 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.1 | -41.2 | 175.3 | -83.9 | -69.8 | 0 | 0 | 0 | 112.8 | D147 I148 A155 | D147-Y151 HydrophobicContact CB-CD2 4.49Å; D147-Y151 WeakPolarHBondContact O-CD2 3.12Å; D147-Y151 PolarHBondContact O-N 3.43Å; I148-Y151 PolarHBondContact O-N 3.45Å; Y151-A155 WeakPolarHBondContact O-CB 3.43Å; Y151-A155 PolarHBondContact O-N 3.28Å |
| 152 | I | 82.1 | Confident | 77.2 | Confident | 99 Ų | 99 | 98.6 Ų | 98.6 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68 | -44 | 177.7 | -70.2 | 169 | 0 | 0 | 0 | 110.1 | I148 D149 A155 K156 | I148-I152 HydrophobicContact CG2-CD1 3.57Å; I148-I152 HydrophobicContact CG2-CG1 4.23Å; I148-I152 WeakPolarHBondContact O-CB 3.49Å; I148-I152 VanDerWaalsContact O-CG1 3.23Å; I148-I152 WeakPolarHBondContact O-CG1 3.31Å; I148-I152 PolarHBondContact O-N 3.11Å; D149-I152 PolarHBondContact O-N 3.06Å; I152-A155 PolarHBondContact O-N 3.26Å; I152-K156 VanDerWaalsContact O-CB 3.24Å; I152-K156 WeakPolarHBondContact O-CB 3.35Å; I152-K156 PolarHBondContact O-N 3.43Å |
| 153 | C | 76 | Confident | 79 | Confident | 59 Ų | 59 | 101.9 Ų | 101.9 | 40% | 0.399 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 177.9 | -155.6 | 0 | 0 | 0 | 0 | 110.4 | D149 E150 A155 K156 D157 | D149-C153 WeakPolarHBondContact O-CB 2.99Å; D149-C153 PolarHBondContact O-N 2.93Å; E150-C153 PolarHBondContact O-N 3.3Å; C153-A155 PolarHBondContact O-N 2.85Å; C153-K156 WeakPolarHBondContact O-CB 3.02Å; C153-K156 PolarHBondContact O-N 2.68Å; C153-D157 PolarHBondContact O-N 3.42Å |
| 154 | Q | 86 | Confident | 80.8 | Confident | 80 Ų | 80 | 102.7 Ų | 102.7 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.2 | -165.9 | -171 | 98.2 | 0 | 0 | 112.5 | E150 K158 | E150-Q154 WeakPolarHBondContact O-CB 3.34Å; E150-Q154 PolarHBondContact O-N 3.46Å; Q154-K158 HydrophobicContact CG-CD 4.2Å; Q154-K158 WeakPolarHBondContact O-CB 3.13Å; Q154-K158 WeakPolarHBondContact O-CD 3.48Å; Q154-K158 WeakPolarHBondContact O-CG 3.15Å; Q154-K158 PolarHBondContact O-N 2.67Å |
| 155 | A | 84.8 | Confident | 82.4 | Confident | 58 Ų | 58 | 101.9 Ų | 101.9 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y151 I152 C153 S159 | Y151-A155 WeakPolarHBondContact O-CB 3.43Å; Y151-A155 PolarHBondContact O-N 3.28Å; I152-A155 PolarHBondContact O-N 3.26Å; C153-A155 PolarHBondContact O-N 2.85Å; A155-S159 VanDerWaalsContact O-CB 3.32Å; A155-S159 WeakPolarHBondContact O-CB 3.43Å; A155-S159 PolarHBondContact O-N 3.42Å |
| 156 | K | 84.9 | Confident | 83.8 | Confident | 108 Ų | 108 | 102.4 Ų | 102.4 | 47% | 0.47 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -49.6 | 176.6 | -165.9 | -175.4 | 75.9 | -172.4 | 0 | 110.4 | I152 C153 K158 S159 Y160 | I152-K156 VanDerWaalsContact O-CB 3.24Å; I152-K156 WeakPolarHBondContact O-CB 3.35Å; I152-K156 PolarHBondContact O-N 3.43Å; C153-K156 WeakPolarHBondContact O-CB 3.02Å; C153-K156 PolarHBondContact O-N 2.68Å; K156-K158 PolarHBondContact O-N 3.33Å; K156-S159 WeakPolarHBondContact O-CB 3.28Å; K156-S159 PolarHBondContact O-N 2.87Å; K156-S159 VanDerWaalsContact O-N 3.11Å; K156-S159 PolarHBondContact O-OG 3.17Å; K156-Y160 HydrophobicContact CD-CE2 4.1Å; K156-Y160 HydrophobicContact CG-CD2 3.8Å; K156-Y160 HydrophobicContact CG-CE2 3.65Å; K156-Y160 VanDerWaalsContact O-CD2 3.3Å; K156-Y160 WeakPolarHBondContact O-CD2 3.09Å; K156-Y160 PolarHBondContact O-N 3.06Å |
| 157 | D | 88.8 | Confident | 85.4 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 179.6 | -70.6 | -20.3 | 0 | 0 | 0 | 111.7 | C153 S159 Y160 D161 | C153-D157 PolarHBondContact O-N 3.42Å; D157-S159 VanDerWaalsContact C-N 3.28Å; D157-S159 PolarHBondContact O-N 3.25Å; D157-Y160 PolarHBondContact O-N 2.91Å; D157-D161 WeakPolarHBondContact O-CB 3.17Å; D157-D161 PolarHBondContact O-N 3.1Å |
| 158 | K | 89.9 | Confident | 86.7 | Confident | 124 Ų | 124 | 102.9 Ų | 102.9 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.8 | -37.6 | 173.4 | -73.5 | 170.5 | 177.1 | 174.4 | 0 | 112.3 | Q154 K156 T162 | Q154-K158 HydrophobicContact CG-CD 4.2Å; Q154-K158 WeakPolarHBondContact O-CB 3.13Å; Q154-K158 WeakPolarHBondContact O-CD 3.48Å; Q154-K158 WeakPolarHBondContact O-CG 3.15Å; Q154-K158 PolarHBondContact O-N 2.67Å; K156-K158 PolarHBondContact O-N 3.33Å; K158-T162 WeakPolarHBondContact O-CB 2.9Å; K158-T162 PolarHBondContact O-N 3.05Å; K158-T162 VanDerWaalsContact O-N 3.09Å; K158-T162 PolarHBondContact O-OG1 3.49Å |
| 159 | S | 87 | Confident | 87.8 | Confident | 65 Ų | 65 | 104 Ų | 104 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70 | -40.5 | 177.5 | 82.9 | 0 | 0 | 0 | 0 | 112.3 | A155 K156 D157 L163 | A155-S159 VanDerWaalsContact O-CB 3.32Å; A155-S159 WeakPolarHBondContact O-CB 3.43Å; A155-S159 PolarHBondContact O-N 3.42Å; K156-S159 WeakPolarHBondContact O-CB 3.28Å; K156-S159 PolarHBondContact O-N 2.87Å; K156-S159 VanDerWaalsContact O-N 3.11Å; K156-S159 PolarHBondContact O-OG 3.17Å; D157-S159 VanDerWaalsContact C-N 3.28Å; D157-S159 PolarHBondContact O-N 3.25Å; S159-L163 VanDerWaalsContact O-CB 3.27Å; S159-L163 WeakPolarHBondContact O-CB 3.14Å; S159-L163 PolarHBondContact O-N 3.39Å |
| 160 | Y | 91 | Very high | 88.6 | Confident | 138 Ų | 138 | 101.3 Ų | 101.3 | 54% | 0.541 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 177.1 | -89.9 | -77.3 | 0 | 0 | 0 | 111 | K156 D157 L163 V164 | K156-Y160 HydrophobicContact CD-CE2 4.1Å; K156-Y160 HydrophobicContact CG-CD2 3.8Å; K156-Y160 HydrophobicContact CG-CE2 3.65Å; K156-Y160 VanDerWaalsContact O-CD2 3.3Å; K156-Y160 WeakPolarHBondContact O-CD2 3.09Å; K156-Y160 PolarHBondContact O-N 3.06Å; D157-Y160 PolarHBondContact O-N 2.91Å; Y160-L163 PolarHBondContact O-N 2.93Å; Y160-V164 WeakPolarHBondContact O-CB 3.03Å; Y160-V164 VanDerWaalsContact O-CG2 3.22Å; Y160-V164 WeakPolarHBondContact O-CG2 3.42Å; Y160-V164 PolarHBondContact O-N 3.44Å |
| 161 | D | 90.9 | Very high | 89.3 | Confident | 118 Ų | 118 | 101.5 Ų | 101.5 | 63% | 0.631 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.2 | -46.1 | 178.4 | -165.1 | -91.7 | 0 | 0 | 0 | 111.2 | D157 L163 V164 H165 | D157-D161 WeakPolarHBondContact O-CB 3.17Å; D157-D161 PolarHBondContact O-N 3.1Å; D161-L163 PolarHBondContact O-N 3.06Å; D161-V164 PolarHBondContact O-N 3.34Å; D161-H165 WeakPolarHBondContact O-CB 3.05Å; D161-H165 PolarHBondContact O-N 3.01Å |
| 162 | T | 92.1 | Very high | 90.2 | Very high | 72 Ų | 72 | 98.8 Ų | 98.8 | 44% | 0.442 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 175.6 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | K158 V164 H165 F166 | K158-T162 WeakPolarHBondContact O-CB 2.9Å; K158-T162 PolarHBondContact O-N 3.05Å; K158-T162 VanDerWaalsContact O-N 3.09Å; K158-T162 PolarHBondContact O-OG1 3.49Å; T162-V164 PolarHBondContact O-N 2.77Å; T162-H165 PolarHBondContact O-N 2.92Å; T162-F166 HydrophobicContact CG2-CD2 3.69Å; T162-F166 HydrophobicContact CG2-CE2 3.76Å; T162-F166 VanDerWaalsContact O-CD2 3.27Å; T162-F166 WeakPolarHBondContact O-CD2 3.46Å; T162-F166 PolarHBondContact O-N 2.95Å |
| 163 | L | 93.8 | Very high | 90.7 | Very high | 122 Ų | 122 | 99.1 Ų | 99.1 | 64% | 0.639 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | -178.4 | -175.2 | 63.6 | 0 | 0 | 0 | 112.1 | S159 Y160 D161 F166 G167 | S159-L163 VanDerWaalsContact O-CB 3.27Å; S159-L163 WeakPolarHBondContact O-CB 3.14Å; S159-L163 PolarHBondContact O-N 3.39Å; Y160-L163 PolarHBondContact O-N 2.93Å; D161-L163 PolarHBondContact O-N 3.06Å; L163-F166 PolarHBondContact O-N 2.91Å; L163-G167 PolarHBondContact O-N 3.02Å |
| 164 | V | 93.9 | Very high | 91.6 | Very high | 86 Ų | 86 | 99 Ų | 99 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 177.8 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | Y160 D161 T162 G167 R168 | Y160-V164 WeakPolarHBondContact O-CB 3.03Å; Y160-V164 VanDerWaalsContact O-CG2 3.22Å; Y160-V164 WeakPolarHBondContact O-CG2 3.42Å; Y160-V164 PolarHBondContact O-N 3.44Å; D161-V164 PolarHBondContact O-N 3.34Å; T162-V164 PolarHBondContact O-N 2.77Å; V164-G167 PolarHBondContact O-N 3.4Å; V164-R168 VanDerWaalsContact O-CB 3.29Å; V164-R168 WeakPolarHBondContact O-CB 3.36Å; V164-R168 PolarHBondContact O-N 3.44Å |
| 165 | H | 93.6 | Very high | 91.9 | Very high | 94 Ų | 94 | 97.6 Ų | 97.6 | 44% | 0.435 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 178.8 | -178.2 | -127.9 | 0 | 0 | 0 | 112.3 | D161 T162 R168 K169 | D161-H165 WeakPolarHBondContact O-CB 3.05Å; D161-H165 PolarHBondContact O-N 3.01Å; T162-H165 PolarHBondContact O-N 2.92Å; H165-R168 PolarHBondContact O-N 2.9Å; H165-K169 WeakPolarHBondContact CE1-CE 3.46Å; H165-K169 PolarHBondContact CE1-NZ 3.2Å; H165-K169 VanDerWaalsContact NE2-CE 3.27Å; H165-K169 WeakPolarHBondContact NE2-CE 3.25Å; H165-K169 WeakPolarHBondContact O-CB 3.27Å; H165-K169 WeakPolarHBondContact O-CG 2.99Å; H165-K169 PolarHBondContact O-N 3.48Å |
| 166 | F | 93.1 | Very high | 92.2 | Very high | 137 Ų | 137 | 99 Ų | 99 | 60% | 0.601 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.3 | -41.5 | 172.7 | -88.9 | -82.4 | 0 | 0 | 0 | 112.2 | T162 L163 R168 K169 G170 | T162-F166 HydrophobicContact CG2-CD2 3.69Å; T162-F166 HydrophobicContact CG2-CE2 3.76Å; T162-F166 VanDerWaalsContact O-CD2 3.27Å; T162-F166 WeakPolarHBondContact O-CD2 3.46Å; T162-F166 PolarHBondContact O-N 2.95Å; L163-F166 PolarHBondContact O-N 2.91Å; F166-R168 VanDerWaalsContact C-N 3.35Å; F166-R168 PolarHBondContact O-N 3.4Å; F166-K169 PolarHBondContact O-N 3.31Å; F166-G170 PolarHBondContact O-N 3.48Å |
| 167 | G | 95.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 96.6 Ų | 96.6 | 45% | 0.454 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L163 V164 G170 L171 | L163-G167 PolarHBondContact O-N 3.02Å; V164-G167 PolarHBondContact O-N 3.4Å; G167-G170 PolarHBondContact O-N 2.75Å; G167-L171 WeakPolarHBondContact O-CB 3.23Å; G167-L171 PolarHBondContact O-N 3.44Å |
| 168 | R | 93.8 | Very high | 92.8 | Very high | 182 Ų | 182 | 95 Ų | 95 | 69% | 0.687 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.8 | -37.2 | -179 | -153.3 | 164.8 | 177.6 | 162.7 | -2.7 | 112.3 | V164 H165 F166 L171 N172 | V164-R168 VanDerWaalsContact O-CB 3.29Å; V164-R168 WeakPolarHBondContact O-CB 3.36Å; V164-R168 PolarHBondContact O-N 3.44Å; H165-R168 PolarHBondContact O-N 2.9Å; F166-R168 VanDerWaalsContact C-N 3.35Å; F166-R168 PolarHBondContact O-N 3.4Å; R168-L171 PolarHBondContact O-N 2.92Å; R168-N172 WeakPolarHBondContact O-CB 3.28Å; R168-N172 PolarHBondContact O-N 3.46Å |
| 169 | K | 94.7 | Very high | 92.8 | Very high | 114 Ų | 114 | 94 Ų | 94 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 170.1 | -79.3 | 179.1 | 174.6 | 173.2 | 0 | 111.8 | H165 F166 L171 N172 V173 | H165-K169 WeakPolarHBondContact CE1-CE 3.46Å; H165-K169 PolarHBondContact CE1-NZ 3.2Å; H165-K169 VanDerWaalsContact NE2-CE 3.27Å; H165-K169 WeakPolarHBondContact NE2-CE 3.25Å; H165-K169 WeakPolarHBondContact O-CB 3.27Å; H165-K169 WeakPolarHBondContact O-CG 2.99Å; H165-K169 PolarHBondContact O-N 3.48Å; F166-K169 PolarHBondContact O-N 3.31Å; K169-L171 PolarHBondContact O-N 3.31Å; K169-N172 PolarHBondContact O-N 2.79Å; K169-V173 WeakPolarHBondContact O-CG2 3.36Å; K169-V173 PolarHBondContact O-N 3.21Å; K169-V173 VanDerWaalsContact O-N 3.09Å |
| 170 | G | 93.1 | Very high | 92.9 | Very high | 42 Ų | 42 | 95.7 Ų | 95.7 | 43% | 0.433 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F166 G167 V173 A174 | F166-G170 PolarHBondContact O-N 3.48Å; G167-G170 PolarHBondContact O-N 2.75Å; G170-V173 PolarHBondContact O-N 3.29Å; G170-A174 WeakPolarHBondContact O-CB 3.4Å; G170-A174 PolarHBondContact O-N 3.49Å |
| 171 | L | 95.3 | Very high | 92.7 | Very high | 130 Ų | 130 | 92.2 Ų | 92.2 | 68% | 0.681 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.6 | -41.2 | 179.4 | -136.4 | 76 | 0 | 0 | 0 | 112.4 | G167 R168 K169 A174 A175 | G167-L171 WeakPolarHBondContact O-CB 3.23Å; G167-L171 PolarHBondContact O-N 3.44Å; R168-L171 PolarHBondContact O-N 2.92Å; K169-L171 PolarHBondContact O-N 3.31Å; L171-A174 PolarHBondContact O-N 2.85Å; L171-A175 VanDerWaalsContact O-CB 3.24Å; L171-A175 WeakPolarHBondContact O-CB 3.03Å; L171-A175 PolarHBondContact O-N 3.36Å |
| 172 | N | 93.9 | Very high | 92.5 | Very high | 108 Ų | 108 | 89.4 Ų | 89.4 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.3 | -37.8 | 176.9 | -93.5 | -15.6 | 0 | 0 | 0 | 112.5 | R168 K169 T176 | R168-N172 WeakPolarHBondContact O-CB 3.28Å; R168-N172 PolarHBondContact O-N 3.46Å; K169-N172 PolarHBondContact O-N 2.79Å; N172-T176 WeakPolarHBondContact O-CB 3.18Å; N172-T176 PolarHBondContact O-N 3.37Å; N172-T176 PolarHBondContact O-OG1 2.91Å |
| 173 | V | 93.1 | Very high | 92.1 | Very high | 106 Ų | 106 | 89 Ų | 89 | 64% | 0.642 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -45.2 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | K169 G170 T176 A177 | K169-V173 WeakPolarHBondContact O-CG2 3.36Å; K169-V173 PolarHBondContact O-N 3.21Å; K169-V173 VanDerWaalsContact O-N 3.09Å; G170-V173 PolarHBondContact O-N 3.29Å; V173-T176 PolarHBondContact O-N 2.79Å; V173-A177 WeakPolarHBondContact O-CB 3.44Å; V173-A177 PolarHBondContact O-N 3.42Å |
| 174 | A | 93.8 | Very high | 91.7 | Very high | 57 Ų | 57 | 89.8 Ų | 89.8 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G170 L171 T176 A177 A178 | G170-A174 WeakPolarHBondContact O-CB 3.4Å; G170-A174 PolarHBondContact O-N 3.49Å; L171-A174 PolarHBondContact O-N 2.85Å; A174-T176 PolarHBondContact O-N 2.81Å; A174-A177 PolarHBondContact O-N 3.1Å; A174-A178 WeakPolarHBondContact O-CB 3.28Å; A174-A178 PolarHBondContact O-N 2.75Å |
| 175 | A | 93.2 | Very high | 90.7 | Very high | 51 Ų | 51 | 87.1 Ų | 87.1 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L171 A178 V179 | L171-A175 VanDerWaalsContact O-CB 3.24Å; L171-A175 WeakPolarHBondContact O-CB 3.03Å; L171-A175 PolarHBondContact O-N 3.36Å; A175-A178 PolarHBondContact O-N 2.79Å; A175-V179 VanDerWaalsContact O-CG2 3.32Å; A175-V179 WeakPolarHBondContact O-CG2 3.41Å; A175-V179 PolarHBondContact O-N 2.88Å |
| 176 | T | 91.7 | Very high | 89.4 | Confident | 86 Ų | 86 | 89 Ų | 89 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 177.4 | -55 | 0 | 0 | 0 | 0 | 111.4 | N172 V173 A174 M180 | N172-T176 WeakPolarHBondContact O-CB 3.18Å; N172-T176 PolarHBondContact O-N 3.37Å; N172-T176 PolarHBondContact O-OG1 2.91Å; V173-T176 PolarHBondContact O-N 2.79Å; A174-T176 PolarHBondContact O-N 2.81Å; T176-M180 VanDerWaalsContact O-CB 3.28Å; T176-M180 WeakPolarHBondContact O-CB 3.2Å; T176-M180 PolarHBondContact O-N 3.44Å |
| 177 | A | 91.2 | Very high | 88.2 | Confident | 58 Ų | 58 | 84 Ų | 84 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | V173 A174 M180 A181 | V173-A177 WeakPolarHBondContact O-CB 3.44Å; V173-A177 PolarHBondContact O-N 3.42Å; A174-A177 PolarHBondContact O-N 3.1Å; A177-M180 PolarHBondContact O-N 3.03Å; A177-A181 VanDerWaalsContact O-CB 3.32Å; A177-A181 WeakPolarHBondContact O-CB 3.32Å; A177-A181 PolarHBondContact O-N 2.54Å |
| 178 | A | 93.4 | Very high | 86.7 | Confident | 60 Ų | 60 | 86.3 Ų | 86.3 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A174 A175 M180 A181 A182 | A174-A178 WeakPolarHBondContact O-CB 3.28Å; A174-A178 PolarHBondContact O-N 2.75Å; A175-A178 PolarHBondContact O-N 2.79Å; A178-M180 VanDerWaalsContact C-N 3.34Å; A178-M180 PolarHBondContact O-N 3.29Å; A178-A181 PolarHBondContact O-N 2.84Å; A178-A182 WeakPolarHBondContact O-CB 3.43Å; A178-A182 PolarHBondContact O-N 2.81Å |
| 179 | V | 91.6 | Very high | 85.2 | Confident | 103 Ų | 103 | 82.2 Ų | 82.2 | 62% | 0.624 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | A175 A182 A183 | A175-V179 VanDerWaalsContact O-CG2 3.32Å; A175-V179 WeakPolarHBondContact O-CG2 3.41Å; A175-V179 PolarHBondContact O-N 2.88Å; V179-A182 PolarHBondContact O-N 3.13Å; V179-A183 VanDerWaalsContact O-CB 3.29Å; V179-A183 WeakPolarHBondContact O-CB 3.25Å; V179-A183 PolarHBondContact O-N 3.22Å |
| 180 | M | 87.8 | Confident | 84 | Confident | 102 Ų | 102 | 79.2 Ų | 79.2 | 50% | 0.502 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 177.6 | -171.5 | 179.9 | -72.5 | 0 | 0 | 112.4 | T176 A177 A178 K184 | T176-M180 VanDerWaalsContact O-CB 3.28Å; T176-M180 WeakPolarHBondContact O-CB 3.2Å; T176-M180 PolarHBondContact O-N 3.44Å; A177-M180 PolarHBondContact O-N 3.03Å; A178-M180 VanDerWaalsContact C-N 3.34Å; A178-M180 PolarHBondContact O-N 3.29Å; M180-K184 HydrophobicContact CG-CD 4.23Å; M180-K184 WeakPolarHBondContact O-CB 3.46Å; M180-K184 WeakPolarHBondContact O-CG 3.47Å; M180-K184 PolarHBondContact O-N 2.91Å; M180-K184 PolarHBondContact SD-NZ 3.29Å; M180-K184 VanDerWaalsContact SD-NZ 3.44Å |
| 181 | A | 86.3 | Confident | 82.6 | Confident | 64 Ų | 64 | 82.5 Ų | 82.5 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A177 A178 K184 G185 | A177-A181 VanDerWaalsContact O-CB 3.32Å; A177-A181 WeakPolarHBondContact O-CB 3.32Å; A177-A181 PolarHBondContact O-N 2.54Å; A178-A181 PolarHBondContact O-N 2.84Å; A181-K184 PolarHBondContact O-N 3.43Å; A181-G185 PolarHBondContact O-N 2.87Å |
| 182 | A | 87 | Confident | 81.1 | Confident | 60 Ų | 60 | 83.8 Ų | 83.8 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A178 V179 G185 Q186 | A178-A182 WeakPolarHBondContact O-CB 3.43Å; A178-A182 PolarHBondContact O-N 2.81Å; V179-A182 PolarHBondContact O-N 3.13Å; A182-G185 PolarHBondContact O-N 3.01Å; A182-Q186 WeakPolarHBondContact O-CG 3.07Å; A182-Q186 PolarHBondContact O-N 3.36Å |
| 183 | A | 84.6 | Confident | 79.5 | Confident | 64 Ų | 64 | 84.3 Ų | 84.3 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V179 G185 Q186 G187 | V179-A183 VanDerWaalsContact O-CB 3.29Å; V179-A183 WeakPolarHBondContact O-CB 3.25Å; V179-A183 PolarHBondContact O-N 3.22Å; A183-G185 VanDerWaalsContact C-N 3.35Å; A183-Q186 PolarHBondContact O-N 2.58Å; A183-G187 PolarHBondContact O-N 2.8Å |
| 184 | K | 84.1 | Confident | 78.1 | Confident | 138 Ų | 138 | 88.2 Ų | 88.2 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.8 | -36.2 | 174.2 | -75 | 172.1 | 175.3 | 162.5 | 0 | 112.1 | M180 A181 G187 V188 | M180-K184 HydrophobicContact CG-CD 4.23Å; M180-K184 WeakPolarHBondContact O-CB 3.46Å; M180-K184 WeakPolarHBondContact O-CG 3.47Å; M180-K184 PolarHBondContact O-N 2.91Å; M180-K184 PolarHBondContact SD-NZ 3.29Å; M180-K184 VanDerWaalsContact SD-NZ 3.44Å; A181-K184 PolarHBondContact O-N 3.43Å; K184-G187 PolarHBondContact O-N 3.47Å; K184-V188 PolarHBondContact O-N 3.48Å; K184-V188 VanDerWaalsContact O-N 3.15Å |
| 185 | G | 74.6 | Confident | 76.2 | Confident | 29 Ų | 29 | 87.4 Ų | 87.4 | 30% | 0.299 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A181 A182 A183 G187 V188 L189 | A181-G185 PolarHBondContact O-N 2.87Å; A182-G185 PolarHBondContact O-N 3.01Å; A183-G185 VanDerWaalsContact C-N 3.35Å; G185-G187 VanDerWaalsContact C-N 3.35Å; G185-G187 PolarHBondContact O-N 3.49Å; G185-V188 PolarHBondContact O-N 2.81Å; G185-L189 WeakPolarHBondContact O-CB 3.48Å; G185-L189 WeakPolarHBondContact O-CD1 3.25Å; G185-L189 WeakPolarHBondContact O-CG 3.3Å; G185-L189 PolarHBondContact O-N 2.83Å |
| 186 | Q | 66.7 | Low | 74.5 | Confident | 134 Ų | 134 | 91.8 Ų | 91.8 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.2 | -38.1 | 173.9 | -71.8 | -67.7 | -65.6 | 0 | 0 | 112.4 | A182 A183 L189 S190 | A182-Q186 WeakPolarHBondContact O-CG 3.07Å; A182-Q186 PolarHBondContact O-N 3.36Å; A183-Q186 PolarHBondContact O-N 2.58Å; Q186-L189 PolarHBondContact O-N 3.07Å; Q186-S190 WeakPolarHBondContact O-CB 3.41Å; Q186-S190 PolarHBondContact O-N 3.42Å; Q186-S190 PolarHBondContact O-OG 3.03Å |
| 187 | G | 67.5 | Low | 73 | Confident | 32 Ų | 32 | 91.9 Ų | 91.9 | 33% | 0.33 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.1 | -50.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | A183 K184 G185 L189 S190 D191 | A183-G187 PolarHBondContact O-N 2.8Å; K184-G187 PolarHBondContact O-N 3.47Å; G185-G187 VanDerWaalsContact C-N 3.35Å; G185-G187 PolarHBondContact O-N 3.49Å; G187-L189 PolarHBondContact O-N 2.69Å; G187-S190 PolarHBondContact O-N 3.27Å; G187-S190 PolarHBondContact O-OG 3.39Å; G187-D191 PolarHBondContact O-N 3.08Å |
| 188 | V | 63.6 | Low | 71.3 | Confident | 92 Ų | 92 | 96.8 Ų | 96.8 | 56% | 0.558 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -37.8 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | K184 G185 R192 | K184-V188 PolarHBondContact O-N 3.48Å; K184-V188 VanDerWaalsContact O-N 3.15Å; G185-V188 PolarHBondContact O-N 2.81Å; V188-R192 VanDerWaalsContact O-CG 3.24Å; V188-R192 WeakPolarHBondContact O-CG 3.36Å; V188-R192 PolarHBondContact O-N 2.87Å; V188-R192 VanDerWaalsContact O-N 3.09Å |
| 189 | L | 62.8 | Low | 69.5 | Low | 96 Ų | 96 | 99.8 Ų | 99.8 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 174.6 | -82.7 | 153.7 | 0 | 0 | 0 | 111.9 | G185 Q186 G187 R192 L193 | G185-L189 WeakPolarHBondContact O-CB 3.48Å; G185-L189 WeakPolarHBondContact O-CD1 3.25Å; G185-L189 WeakPolarHBondContact O-CG 3.3Å; G185-L189 PolarHBondContact O-N 2.83Å; Q186-L189 PolarHBondContact O-N 3.07Å; G187-L189 PolarHBondContact O-N 2.69Å; L189-R192 PolarHBondContact O-N 3.37Å; L189-L193 WeakPolarHBondContact O-CB 3.42Å; L189-L193 VanDerWaalsContact O-CG 3.26Å; L189-L193 WeakPolarHBondContact O-CG 3.3Å; L189-L193 PolarHBondContact O-N 2.99Å |
| 190 | S | 68.9 | Low | 67.5 | Low | 51 Ų | 51 | 99.6 Ų | 99.6 | 36% | 0.357 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.3 | -36.2 | 177.8 | 73.4 | 0 | 0 | 0 | 0 | 113 | Q186 G187 R194 | Q186-S190 WeakPolarHBondContact O-CB 3.41Å; Q186-S190 PolarHBondContact O-N 3.42Å; Q186-S190 PolarHBondContact O-OG 3.03Å; G187-S190 PolarHBondContact O-N 3.27Å; G187-S190 PolarHBondContact O-OG 3.39Å; S190-R194 WeakPolarHBondContact O-CB 3.26Å; S190-R194 PolarHBondContact O-N 2.87Å |
| 191 | D | 63 | Low | 65.7 | Low | 111 Ų | 111 | 102.6 Ų | 102.6 | 59% | 0.594 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.3 | -38.6 | 171.9 | -79.6 | -37.2 | 0 | 0 | 0 | 111.4 | G187 R194 S195 | G187-D191 PolarHBondContact O-N 3.08Å; D191-R194 PolarHBondContact O-N 3.43Å; D191-S195 PolarHBondContact O-N 3.07Å; D191-S195 PolarHBondContact O-OG 3.37Å |
| 192 | R | 64 | Low | 64.1 | Low | 158 Ų | 158 | 104.5 Ų | 104.5 | 60% | 0.596 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.1 | -44.7 | 174.8 | -69.1 | -67.4 | 178.8 | -173.9 | -0.7 | 111.7 | V188 L189 R194 S195 F196 | V188-R192 VanDerWaalsContact O-CG 3.24Å; V188-R192 WeakPolarHBondContact O-CG 3.36Å; V188-R192 PolarHBondContact O-N 2.87Å; V188-R192 VanDerWaalsContact O-N 3.09Å; L189-R192 PolarHBondContact O-N 3.37Å; R192-R194 VanDerWaalsContact C-N 3.32Å; R192-R194 PolarHBondContact O-N 3.06Å; R192-S195 WeakPolarHBondContact CA-OG 3.16Å; R192-S195 PolarHBondContact O-N 3.31Å; R192-S195 VanDerWaalsContact O-N 3.13Å; R192-S195 PolarHBondContact O-OG 3.39Å; R192-F196 WeakPolarHBondContact O-CD2 3.42Å; R192-F196 PolarHBondContact O-N 3.3Å |
| 193 | L | 60.5 | Low | 62.4 | Low | 118 Ų | 118 | 104.9 Ų | 104.9 | 62% | 0.618 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.7 | -37.2 | 175 | -72.5 | 167.5 | 0 | 0 | 0 | 111.9 | L189 F196 S197 | L189-L193 WeakPolarHBondContact O-CB 3.42Å; L189-L193 VanDerWaalsContact O-CG 3.26Å; L189-L193 WeakPolarHBondContact O-CG 3.3Å; L189-L193 PolarHBondContact O-N 2.99Å; L193-F196 PolarHBondContact O-N 3.42Å; L193-S197 WeakPolarHBondContact O-CB 3.29Å; L193-S197 PolarHBondContact O-N 3.43Å |
| 194 | R | 63.4 | Low | 60.6 | Low | 189 Ų | 189 | 111.4 Ų | 111.4 | 71% | 0.713 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64 | -41.1 | 170.5 | -97.3 | -166.7 | 168.7 | 92.5 | 1.2 | 112.8 | S190 D191 R192 S197 | S190-R194 WeakPolarHBondContact O-CB 3.26Å; S190-R194 PolarHBondContact O-N 2.87Å; D191-R194 PolarHBondContact O-N 3.43Å; R192-R194 VanDerWaalsContact C-N 3.32Å; R192-R194 PolarHBondContact O-N 3.06Å; R194-S197 PolarHBondContact O-N 3.16Å |
| 195 | S | 55.4 | Low | 59 | Low | 39 Ų | 39 | 113.3 Ų | 113.3 | 27% | 0.273 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.6 | -42.9 | 175.9 | 65.6 | 0 | 0 | 0 | 0 | 111.7 | D191 R192 S197 M198 Q199 | D191-S195 PolarHBondContact O-N 3.07Å; D191-S195 PolarHBondContact O-OG 3.37Å; R192-S195 WeakPolarHBondContact CA-OG 3.16Å; R192-S195 PolarHBondContact O-N 3.31Å; R192-S195 VanDerWaalsContact O-N 3.13Å; R192-S195 PolarHBondContact O-OG 3.39Å; S195-S197 PolarHBondContact O-N 2.92Å; S195-M198 PolarHBondContact O-N 3.41Å; S195-Q199 VanDerWaalsContact O-CD 3.26Å; S195-Q199 PolarHBondContact O-N 3.42Å; S195-Q199 PolarHBondContact O-OE1 2.8Å |
| 196 | F | 57.4 | Low | 57.2 | Low | 143 Ų | 143 | 117.4 Ų | 117.4 | 63% | 0.627 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.6 | -34 | 176.7 | -76.6 | -68.3 | 0 | 0 | 0 | 113.1 | R192 L193 M198 Q199 D200 | R192-F196 WeakPolarHBondContact O-CD2 3.42Å; R192-F196 PolarHBondContact O-N 3.3Å; L193-F196 PolarHBondContact O-N 3.42Å; F196-M198 VanDerWaalsContact C-N 3.34Å; F196-M198 PolarHBondContact O-N 2.89Å; F196-Q199 PolarHBondContact O-N 3.38Å; F196-D200 PolarHBondContact O-N 2.85Å |
| 197 | S | 59.4 | Low | 55.8 | Low | 88 Ų | 88 | 117.6 Ų | 117.6 | 62% | 0.615 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.9 | -19.3 | -178.9 | -172.8 | 0 | 0 | 0 | 0 | 115.2 | L193 R194 S195 | L193-S197 WeakPolarHBondContact O-CB 3.29Å; L193-S197 PolarHBondContact O-N 3.43Å; R194-S197 PolarHBondContact O-N 3.16Å; S195-S197 PolarHBondContact O-N 2.92Å |
| 198 | M | 55.4 | Low | 55.1 | Low | 161 Ų | 161 | 121.1 Ų | 121.1 | 79% | 0.793 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -98.7 | -20.1 | 175.4 | -94.6 | -118.5 | -171 | 0 | 0 | 113.2 | S195 F196 | S195-M198 PolarHBondContact O-N 3.41Å; F196-M198 VanDerWaalsContact C-N 3.34Å; F196-M198 PolarHBondContact O-N 2.89Å |
| 199 | Q | 56.7 | Low | 53.5 | Low | 123 Ų | 123 | 123.2 Ų | 123.2 | 58% | 0.575 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -86 | -22.9 | 176.5 | -87.4 | 82.9 | 77.9 | 0 | 0 | 113.5 | S195 F196 S202 | S195-Q199 VanDerWaalsContact O-CD 3.26Å; S195-Q199 PolarHBondContact O-N 3.42Å; S195-Q199 PolarHBondContact O-OE1 2.8Å; F196-Q199 PolarHBondContact O-N 3.38Å; Q199-S202 PolarHBondContact O-OG 3.35Å |
| 200 | D | 49.5 | Very low | 52.2 | Low | 100 Ų | 100 | 126.2 Ų | 126.2 | 54% | 0.535 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.2 | 2.1 | -173.2 | -154.8 | 26 | 0 | 0 | 0 | 115.5 | F196 S202 S203 | F196-D200 PolarHBondContact O-N 2.85Å; D200-S202 VanDerWaalsContact C-N 3.3Å; D200-S203 WeakPolarHBondContact CA-OG 3.35Å; D200-S203 PolarHBondContact OD1-OG 2.9Å |
| 201 | L | 48.8 | Very low | 50.5 | Low | 165 Ų | 165 | 129.6 Ų | 129.6 | 86% | 0.864 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -0.9 | 168.3 | -104.6 | 162.7 | 0 | 0 | 0 | 113.2 | ||
| 202 | S | 53.1 | Low | 49.3 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -105.2 | -5.3 | 175.4 | 39 | 0 | 0 | 0 | 0 | 114.8 | Q199 D200 | Q199-S202 PolarHBondContact O-OG 3.35Å; D200-S202 VanDerWaalsContact C-N 3.3Å |
| 203 | S | 50.8 | Low | 48.3 | Very low | 69 Ų | 69 | 126.3 Ų | 126.3 | 48% | 0.483 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -103.1 | -8.8 | -172.3 | 13.4 | 0 | 0 | 0 | 0 | 115.7 | D200 Q205 | D200-S203 WeakPolarHBondContact CA-OG 3.35Å; D200-S203 PolarHBondContact OD1-OG 2.9Å; S203-Q205 PolarHBondContact O-N 3.46Å |
| 204 | Y | 46.4 | Very low | 47.2 | Very low | 201 Ų | 201 | 126 Ų | 126 | 79% | 0.788 | 70% | 0.695 | S | S | * | * | trans | -98.1 | 40.2 | -177.4 | -111.6 | -80.2 | 0 | 0 | 0 | 114.6 | ||||
| 205 | Q | 50.4 | Low | 46 | Very low | 177 Ų | 177 | 121.5 Ų | 121.5 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -118.4 | 66.1 | 162.6 | -174.5 | 70.5 | 58.4 | 0 | 0 | 109.2 | S203 | S203-Q205 PolarHBondContact O-N 3.46Š|
| 206 | S | 37.5 | Very low | 44.9 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | 173.1 | 117.1 | 146.1 | 27.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 207 | D | 37.8 | Very low | 44.2 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | -94 | 178.2 | 167.8 | -125.1 | -50.3 | 0 | 0 | 0 | 109.2 | ||||
| 208 | P | 52.1 | Low | 43.3 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 69% | 0.688 | 75% | 0.747 | S | S | * | * | cis | -120.7 | 174.6 | -42.8 | 11.9 | 12 | 0 | 0 | 0 | 111.7 | ||||
| 209 | D | 30.7 | Very low | 42.4 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | 166.4 | 122.9 | 117.5 | -151.1 | -123 | 0 | 0 | 0 | 113.7 | |||||
| 210 | Q | 35.1 | Very low | 41.6 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 52.5 | 130.3 | 142 | -117.3 | 174.5 | 102 | 0 | 0 | 125.9 | ||||
| 211 | T | 33.4 | Very low | 41.1 | Very low | 122 Ų | 122 | 125 Ų | 125 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 98.1 | 114.2 | 139.5 | -36.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 212 | G | 36.6 | Very low | 40.6 | Very low | 67 Ų | 67 | 126.6 Ų | 126.6 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -71.3 | -177.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 213 | P | 44.8 | Very low | 40 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | -147.2 | 162.5 | 67.6 | 36.6 | -16.2 | 0 | 0 | 0 | 118.5 | |||||
| 214 | S | 36.1 | Very low | 39.3 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | 1.8 | 117.8 | 151.4 | -164.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 215 | A | 38.1 | Very low | 39 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | 43.5 | 117.9 | 125.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 216 | A | 33.3 | Very low | 38.7 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | -126.7 | 116 | 149.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 217 | Q | 42.5 | Very low | 38.8 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 149.1 | 166.7 | -74.9 | -176.8 | -42.4 | 0 | 0 | 109.7 | ||
| 218 | P | 40.4 | Very low | 39.3 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 117.2 | 149.7 | 9.3 | 9.6 | 0 | 0 | 0 | 110 | ||
| 219 | T | 36.1 | Very low | 38.8 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 143.8 | 173.8 | 38.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 220 | A | 40.5 | Very low | 39.4 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 167.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 221 | A | 39.4 | Very low | 39.3 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | 81.2 | 105 | 146 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 222 | Q | 38.7 | Very low | 39.1 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 94% | 0.935 | 82% | 0.819 | S | S | * | * | trans | -145 | 100.3 | 143.3 | -110 | -176.7 | -7.2 | 0 | 0 | 110 | ||||
| 223 | H | 38.7 | Very low | 39.1 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 83% | 0.833 | 83% | 0.825 | S | S | * | * | trans | -120.3 | 108.6 | 160.5 | -147.3 | -92.2 | 0 | 0 | 0 | 107.7 | T225 | H223-T225 PolarHBondContact O-N 3.4Š| ||
| 224 | R | 36.1 | Very low | 38.5 | Very low | 239 Ų | 239 | 150.8 Ų | 150.8 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -84.6 | 96.4 | -175.4 | -174 | 178 | -172.9 | 149.1 | 1.2 | 109 | ||||
| 225 | T | 40.4 | Very low | 38.2 | Very low | 122 Ų | 122 | 150.8 Ų | 150.8 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 118.5 | 173.7 | -42.3 | 0 | 0 | 0 | 0 | 109.6 | H223 | H223-T225 PolarHBondContact O-N 3.4Š|
| 226 | R | 44 | Very low | 37.9 | Very low | 224 Ų | 224 | 153.9 Ų | 153.9 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 136.3 | 167.9 | -83.3 | 178.2 | 151.2 | 171.8 | -5.9 | 109.5 | ||
| 227 | P | 40.5 | Very low | 37.8 | Very low | 123 Ų | 123 | 157.2 Ų | 157.2 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77 | 128.6 | 170.8 | 29.1 | -30.1 | 0 | 0 | 0 | 110.5 | ||
| 228 | I | 48.3 | Very low | 37.3 | Very low | 164 Ų | 164 | 156 Ų | 156 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 125.6 | 169.5 | -68.1 | 169.6 | 0 | 0 | 0 | 107.7 | R230 | I228-R230 PolarHBondContact O-N 2.93Š|
| 229 | I | 40.8 | Very low | 37.1 | Very low | 159 Ų | 159 | 154.8 Ų | 154.8 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | trans | -63.7 | 115.6 | 177 | -62.6 | 176.6 | 0 | 0 | 0 | 108.5 | S231 | I229-S231 PolarHBondContact O-N 2.85Š| ||
| 230 | R | 42.8 | Very low | 37.1 | Very low | 234 Ų | 234 | 154.3 Ų | 154.3 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -66.8 | 108.6 | 172.5 | -179 | 173.9 | 179 | 84.1 | -1.1 | 108.7 | I228 K232 | I228-R230 PolarHBondContact O-N 2.93Å; R230-K232 PolarHBondContact O-N 3.41Å | ||
| 231 | S | 33.9 | Very low | 37.3 | Very low | 118 Ų | 118 | 155.5 Ų | 155.5 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -66.2 | 128.5 | 175.5 | -160.3 | 0 | 0 | 0 | 0 | 110.2 | I229 | I229-S231 PolarHBondContact O-N 2.85Š| ||
| 232 | K | 30 | Very low | 37.2 | Very low | 178 Ų | 178 | 156.4 Ų | 156.4 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | trans | -83.8 | 114.7 | -179.5 | -165.2 | 177.8 | -175.4 | -179 | 0 | 107.3 | R230 E234 | R230-K232 PolarHBondContact O-N 3.41Å; K232-E234 PolarHBondContact O-N 3.5Å; K232-E234 VanDerWaalsContact O-N 3.12Å | ||
| 233 | S | 35.4 | Very low | 37.3 | Very low | 119 Ų | 119 | 154.3 Ų | 154.3 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -73.7 | 100.9 | 171.4 | 62.8 | 0 | 0 | 0 | 0 | 108.5 | S235 | S233-S235 PolarHBondContact O-N 3.49Š| ||
| 234 | E | 31.7 | Very low | 37.5 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | -74.1 | 117.3 | 163.2 | -82.6 | 177.8 | 91.6 | 0 | 0 | 108.5 | K232 Y236 | K232-E234 PolarHBondContact O-N 3.5Å; K232-E234 VanDerWaalsContact O-N 3.12Å; E234-Y236 PolarHBondContact O-N 2.91Å; E234-Y236 VanDerWaalsContact O-N 3.16Å | ||
| 235 | S | 31.2 | Very low | 38 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 78% | 0.783 | 72% | 0.723 | S | S | * | * | trans | -63.4 | 107.2 | 171.2 | 176 | 0 | 0 | 0 | 0 | 108.4 | S233 K237 | S233-S235 PolarHBondContact O-N 3.49Å; S235-K237 PolarHBondContact O-N 3.08Å | ||
| 236 | Y | 31.7 | Very low | 37.8 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 62% | 0.62 | 72% | 0.72 | S | S | * | * | trans | -73.4 | 112.3 | 172.2 | -162.2 | -99 | 0 | 0 | 0 | 107.5 | V81 E234 D238 | V81-Y236 WeakPolarHBondContact CG2-OH 3.14Å; E234-Y236 PolarHBondContact O-N 2.91Å; E234-Y236 VanDerWaalsContact O-N 3.16Å; Y236-D238 PolarHBondContact O-N 3.11Å | ||
| 237 | K | 30.8 | Very low | 37.5 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | -66.6 | 131.2 | 174.3 | -83 | 173.9 | 172.9 | 160.4 | 0 | 108.9 | S235 V239 | S235-K237 PolarHBondContact O-N 3.08Å; K237-V239 WeakPolarHBondContact O-CG2 3.38Å; K237-V239 PolarHBondContact O-N 3.07Å; K237-V239 VanDerWaalsContact O-N 3.12Å | ||
| 238 | D | 32.4 | Very low | 37.4 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | -36.7 | 108.9 | 160.9 | -164.8 | -116.9 | 0 | 0 | 0 | 110 | Y236 | Y236-D238 PolarHBondContact O-N 3.11Š| ||
| 239 | V | 35.4 | Very low | 36.9 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 63% | 0.63 | 70% | 0.695 | S | S | * | * | trans | -105.5 | 103.7 | 170.8 | -172.6 | 0 | 0 | 0 | 0 | 106.1 | K237 M241 | K237-V239 WeakPolarHBondContact O-CG2 3.38Å; K237-V239 PolarHBondContact O-N 3.07Å; K237-V239 VanDerWaalsContact O-N 3.12Å; V239-M241 PolarHBondContact O-N 2.9Å | ||
| 240 | D | 37.3 | Very low | 36.5 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | trans | -42.1 | 117 | -179.5 | -152.7 | -88.1 | 0 | 0 | 0 | 111.8 | N242 | D240-N242 PolarHBondContact O-N 3.24Å; D240-N242 VanDerWaalsContact OD1-CB 3.29Å; D240-N242 WeakPolarHBondContact OD1-CB 3.13Å | ||
| 241 | M | 43.7 | Very low | 36.2 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 58% | 0.581 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 54.8 | -173.4 | -99.7 | -81.3 | -87.1 | 0 | 0 | 109.7 | M85 V239 Y244 | M85-M241 HydrophobicContact SD-CE 4.48Å; V239-M241 PolarHBondContact O-N 2.9Å; M241-Y244 VanDerWaalsContact C-OH 3.27Å; M241-Y244 WeakPolarHBondContact CA-OH 3.21Å; M241-Y244 HydrophobicContact CB-CE1 3.67Å; M241-Y244 WeakPolarHBondContact CB-OH 3.09Å; M241-Y244 HydrophobicContact CE-CE1 4.22Å; M241-Y244 WeakPolarHBondContact CE-OH 3.22Å; M241-Y244 HydrophobicContact CG-CE1 3.72Å; M241-Y244 WeakPolarHBondContact CG-OH 3.44Å; M241-Y244 PolarHBondContact O-OH 3.14Å; M241-Y244 HydrophobicContact SD-CD1 4.11Å; M241-Y244 HydrophobicContact SD-CE1 3.07Å; M241-Y244 WeakPolarHBondContact SD-CE1 3.06Å; M241-Y244 PolarHBondContact SD-OH 3.03Å |
| 242 | N | 38.2 | Very low | 36.1 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 61% | 0.61 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.3 | -5.8 | -175.7 | -151.6 | 37.4 | 0 | 0 | 0 | 114 | D240 | D240-N242 PolarHBondContact O-N 3.24Å; D240-N242 VanDerWaalsContact OD1-CB 3.29Å; D240-N242 WeakPolarHBondContact OD1-CB 3.13Å |
| 243 | E | 40.6 | Very low | 36.2 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 73% | 0.729 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -89.2 | -17.9 | -176.8 | -161.9 | 174.6 | 91.7 | 0 | 0 | 113.7 | ||
| 244 | Y | 43 | Very low | 36.1 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 38% | 0.376 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -86.2 | -10.5 | -176.3 | 47.1 | -98.5 | 0 | 0 | 0 | 114.6 | M241 V246 | M241-Y244 VanDerWaalsContact C-OH 3.27Å; M241-Y244 WeakPolarHBondContact CA-OH 3.21Å; M241-Y244 HydrophobicContact CB-CE1 3.67Å; M241-Y244 WeakPolarHBondContact CB-OH 3.09Å; M241-Y244 HydrophobicContact CE-CE1 4.22Å; M241-Y244 WeakPolarHBondContact CE-OH 3.22Å; M241-Y244 HydrophobicContact CG-CE1 3.72Å; M241-Y244 WeakPolarHBondContact CG-OH 3.44Å; M241-Y244 PolarHBondContact O-OH 3.14Å; M241-Y244 HydrophobicContact SD-CD1 4.11Å; M241-Y244 HydrophobicContact SD-CE1 3.07Å; M241-Y244 WeakPolarHBondContact SD-CE1 3.06Å; M241-Y244 PolarHBondContact SD-OH 3.03Å; Y244-V246 VanDerWaalsContact C-N 3.32Å |
| 245 | E | 45.2 | Very low | 36.5 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 48% | 0.477 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -80 | -15.8 | 176.1 | -146.1 | 176.8 | 148.3 | 0 | 0 | 112.7 | R134 | R134-E245 IonicContact CZ-OE1 3.55Å; R134-E245 IonicContact NE-OE1 3.59Å; R134-E245 IonicContact NH2-OE1 2.75Å; R134-E245 PolarHBondContact NH2-OE1 3.22Å |
| 246 | V | 36.2 | Very low | 36.8 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 70% | 0.697 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -99.4 | -22.2 | -173.1 | 176.3 | 0 | 0 | 0 | 0 | 113.9 | Y244 | Y244-V246 VanDerWaalsContact C-N 3.32Å |
| 247 | L | 39.2 | Very low | 36.8 | Very low | 124 Ų | 124 | 121.1 Ų | 121.1 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -104.1 | -6.8 | -175.9 | -64.6 | 177.8 | 0 | 0 | 0 | 115.3 | ||
| 248 | G | 37.3 | Very low | 37.1 | Very low | 59 Ų | 59 | 119.8 Ų | 119.8 | 61% | 0.608 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -6.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 249 | L | 38.8 | Very low | 37.2 | Very low | 132 Ų | 132 | 116.9 Ų | 116.9 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -11.7 | -177.3 | -71.4 | 178.9 | 0 | 0 | 0 | 114.9 | ||
| 250 | E | 32.2 | Very low | 37.3 | Very low | 153 Ų | 153 | 119.3 Ų | 119.3 | 72% | 0.715 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -27.9 | -179.1 | -86.6 | -104.8 | 91.6 | 0 | 0 | 113.5 | S252 | E250-S252 PolarHBondContact O-N 3.25Š|
| 251 | Q | 35.5 | Very low | 37.1 | Very low | 172 Ų | 172 | 119.2 Ų | 119.2 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -13.2 | -168.3 | -155.6 | 160.2 | 52.5 | 0 | 0 | 114.5 | ||
| 252 | S | 32.7 | Very low | 36.8 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 60% | 0.601 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -9.2 | 178.8 | -161.5 | 0 | 0 | 0 | 0 | 114.2 | E250 | E250-S252 PolarHBondContact O-N 3.25Š|
| 253 | D | 31.7 | Very low | 36.5 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 66% | 0.663 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -27.7 | -173.7 | -139.1 | -101.3 | 0 | 0 | 0 | 112.8 | ||
| 254 | S | 34.3 | Very low | 36 | Very low | 88 Ų | 88 | 119.9 Ų | 119.9 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -16.6 | -170.1 | -64.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 255 | A | 39.8 | Very low | 36.4 | Very low | 80 Ų | 80 | 121.2 Ų | 121.2 | 66% | 0.661 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -25.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 256 | E | 37.7 | Very low | 35.6 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 51% | 0.505 | 73% | 0.725 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.3 | -26.1 | -179.3 | -87 | -159.8 | 95.5 | 0 | 0 | 114.1 | Y125 L258 | Y125-E256 WeakPolarHBondContact CE2-OE2 3.05Å; Y125-E256 VanDerWaalsContact CZ-OE2 3.27Å; Y125-E256 PolarHBondContact OH-OE2 3.26Å; E256-L258 VanDerWaalsContact C-N 3.33Å; E256-L258 PolarHBondContact O-N 3.36Å |
| 257 | F | 31.8 | Very low | 35.2 | Very low | 168 Ų | 168 | 124 Ų | 124 | 74% | 0.737 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -23.6 | -176.8 | -163.2 | -102.9 | 0 | 0 | 0 | 113.6 | ||
| 258 | L | 36.7 | Very low | 34.8 | Very low | 150 Ų | 150 | 122.5 Ų | 122.5 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -6 | -176.4 | -71.4 | 173.5 | 0 | 0 | 0 | 114.9 | E256 | E256-L258 VanDerWaalsContact C-N 3.33Å; E256-L258 PolarHBondContact O-N 3.36Å |
| 259 | A | 34.8 | Very low | 35 | Very low | 86 Ų | 86 | 124.9 Ų | 124.9 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -95 | -10.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 260 | L | 37 | Very low | 34.6 | Very low | 155 Ų | 155 | 124.5 Ų | 124.5 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -108.8 | 10.2 | -174.5 | -95.1 | 165.6 | 0 | 0 | 0 | 115.5 | ||
| 261 | T | 32.2 | Very low | 34.8 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | trans | -130.9 | 63.7 | 177.8 | -40.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 262 | Q | 37.3 | Very low | 35.1 | Very low | 203 Ų | 203 | 120.5 Ų | 120.5 | 95% | 0.949 | 75% | 0.745 | S | S | * | * | trans | -153.2 | 90.7 | 157 | -129.4 | 174.3 | 85.6 | 0 | 0 | 111.3 | ||||
| 263 | S | 32.6 | Very low | 34.8 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | trans | -135.1 | 138.2 | 151 | 59.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 264 | G | 30.9 | Very low | 34.9 | Very low | 75 Ų | 75 | 120.6 Ų | 120.6 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -80.4 | -165.3 | -155.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 265 | P | 51.6 | Low | 34.9 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -99.1 | 165.5 | -142.3 | 39.1 | -36.9 | 0 | 0 | 0 | 114.9 | ||||
| 266 | L | 27.2 | Very low | 34.3 | Very low | 162 Ų | 162 | 123.4 Ų | 123.4 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | 174.3 | 142.5 | 115.4 | -151.5 | 64 | 0 | 0 | 0 | 113.2 | |||||
| 267 | S | 28.6 | Very low | 34 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | 102.1 | 106.8 | 153.3 | -48 | 0 | 0 | 0 | 0 | 119 | ||||
| 268 | A | 30.8 | Very low | 33.8 | Very low | 93 Ų | 93 | 122.3 Ų | 122.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -89.5 | -169.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 269 | P | 40.3 | Very low | 33.3 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | cis | -140.8 | 164.4 | -7 | 42.7 | -24.8 | 0 | 0 | 0 | 117.5 | ||||
| 270 | T | 29.9 | Very low | 32.8 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | 56 | 152.4 | 151.2 | 15.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 271 | P | 37.3 | Very low | 32.2 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | cis | -136.5 | -177.6 | 48 | 28.1 | -2 | 0 | 0 | 0 | 116.6 | ||||
| 272 | P | 41.3 | Very low | 32.1 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -118.5 | 174.5 | -152.6 | 42.7 | -31.9 | 0 | 0 | 0 | 117.2 | ||||
| 273 | A | 27.5 | Very low | 31.5 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | 133.9 | 138 | 129.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 274 | S | 34.1 | Very low | 31.3 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -77.3 | 176.5 | -176.7 | -168.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 275 | P | 32.6 | Very low | 31.7 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | -152.3 | 160.8 | 105.2 | 36.7 | -17.8 | 0 | 0 | 0 | 117.1 | |||||
| 276 | A | 28.6 | Very low | 30.6 | Very low | 98 Ų | 98 | 126 Ų | 126 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -146.4 | 148.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 277 | A | 31.6 | Very low | 30.7 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | cis | -167.5 | 167.5 | -0.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 278 | Q | 26.4 | Very low | 30.6 | Very low | 171 Ų | 171 | 130 Ų | 130 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | 60.3 | 149.7 | 154 | -66.2 | 176.6 | -93.9 | 0 | 0 | 119.4 | ||||
| 279 | E | 27.5 | Very low | 30.5 | Very low | 159 Ų | 159 | 131 Ų | 131 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | cis | -167.6 | -166.1 | 35.8 | -143.6 | 160.2 | 91.1 | 0 | 0 | 113.4 | ||||
| 280 | Q | 24.1 | Very low | 29.7 | Very low | 182 Ų | 182 | 134.6 Ų | 134.6 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -59 | 167.9 | -163.2 | -82.6 | 169.8 | -53.1 | 0 | 0 | 122.4 | ||||
| 281 | T | 23.9 | Very low | 29.5 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -63 | 154.4 | -172.9 | -57.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 282 | E | 29 | Very low | 28.8 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | 70.4 | 132.5 | 162.1 | -85.8 | -174.4 | 133.3 | 0 | 0 | 118.1 | ||||
| 283 | E | 26.1 | Very low | 28.1 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | cis | -152.8 | 158.4 | 39.4 | -143.3 | -163.1 | 122 | 0 | 0 | 110.1 | ||||
| 284 | G | 27.7 | Very low | 28 | Very low | 67 Ų | 67 | 132.5 Ų | 132.5 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | -84.3 | -159.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 285 | P | 40.3 | Very low | 27.7 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | cis | -126.2 | 168.8 | -24.1 | 38.5 | -22.9 | 0 | 0 | 0 | 113.5 | ||||
| 286 | G | 27.7 | Very low | 28.2 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | 114.3 | 107.9 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 287 | K | 29.5 | Very low | 28.2 | Very low | 196 Ų | 196 | 134.3 Ų | 134.3 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | 52.5 | 120.5 | 136.2 | -79.2 | -169.1 | 177.6 | -174.5 | 0 | 122.2 | ||||
| 288 | E | 25.9 | Very low | 28.1 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | 95.9 | 110.3 | 126.3 | -141.6 | 165.2 | 117.3 | 0 | 0 | 119.7 | |||||
| 289 | V | 28.9 | Very low | 28.3 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | 71.5 | 108.9 | 129.1 | 174.7 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 290 | Q | 24.5 | Very low | 28.4 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | 82.9 | 116.8 | 121.1 | -160.9 | 168.8 | 48.8 | 0 | 0 | 121.3 | |||||
| 291 | A | 25.3 | Very low | 28.6 | Very low | 74 Ų | 74 | 135.7 Ų | 135.7 | 61% | 0.612 | 77% | 0.774 | S | S | * | * | 96.7 | 129.5 | 128.3 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 292 | T | 23 | Very low | 29.1 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | 91 | 111.1 | 132.7 | 51.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 293 | S | 25.6 | Very low | 29.4 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | 95.3 | 142.2 | 119.4 | -162.6 | 0 | 0 | 0 | 0 | 120 | |||||
| 294 | S | 26.5 | Very low | 29.5 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | 88 | 97 | 154.8 | 65.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 295 | S | 27 | Very low | 29.9 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 22.1 | 165.3 | 115.4 | -89.4 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 296 | P | 44.1 | Very low | 30.1 | Very low | 107 Ų | 107 | 144 Ų | 144 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | -133.7 | -167.6 | -50.4 | 29.1 | -5.9 | 0 | 0 | 0 | 110.3 | |||||
| 297 | Q | 27 | Very low | 30.3 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | trans | 124.1 | 140.8 | 139.2 | -76.1 | -85.2 | 53.6 | 0 | 0 | 120.8 | ||||
| 298 | L | 29.9 | Very low | 31 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 64% | 0.644 | 78% | 0.78 | S | S | * | * | trans | 75.2 | 105.3 | 134.5 | -83.8 | 156.3 | 0 | 0 | 0 | 119.8 | ||||
| 299 | R | 30.3 | Very low | 32.2 | Very low | 216 Ų | 216 | 143.9 Ų | 143.9 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | 167.1 | 113.5 | 98 | -104.5 | 177 | 169.4 | 155 | -2.7 | 109.6 | |||||
| 300 | M | 29.4 | Very low | 32.6 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 80% | 0.803 | 79% | 0.79 | S | S | * | * | 84.3 | 107.2 | 94.6 | -93.6 | -158.9 | 176.1 | 0 | 0 | 113.6 | |||||
| 301 | S | 29.3 | Very low | 33.5 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | 159.8 | 138.1 | 123.3 | 55.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 302 | K | 34.4 | Very low | 33.9 | Very low | 187 Ų | 187 | 152 Ų | 152 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | cis | -164.1 | 115.6 | -19.3 | 171.6 | 164.1 | 179.8 | 171.8 | 0 | 103.5 | ||||
| 303 | R | 34.4 | Very low | 34.7 | Very low | 251 Ų | 251 | 152.9 Ų | 152.9 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | trans | -67.2 | 145.3 | 174.2 | -86.7 | -174.4 | -178.1 | -127.9 | 2.1 | 110.5 | ||||
| 304 | R | 29.9 | Very low | 35.5 | Very low | 230 Ų | 230 | 157.9 Ų | 157.9 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -149.1 | 127.1 | 146.2 | -163.2 | 174.9 | -73.7 | -110.5 | 2.9 | 110.5 | ||||
| 305 | A | 34.6 | Very low | 36.1 | Very low | 85 Ų | 85 | 158.9 Ų | 158.9 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | -152.3 | 178.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 306 | P | 45.2 | Very low | 37 | Very low | 118 Ų | 118 | 159.6 Ų | 159.6 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | -126.7 | 166 | -53.8 | 36.6 | -22.4 | 0 | 0 | 0 | 111.7 | |||||
| 307 | E | 32.8 | Very low | 36.7 | Very low | 195 Ų | 195 | 160.5 Ų | 160.5 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -150.4 | 138.6 | 162.8 | -75.9 | -163.3 | 118.1 | 0 | 0 | 113.5 | ||||
| 308 | P | 42.2 | Very low | 37.1 | Very low | 121 Ų | 121 | 164.5 Ų | 164.5 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | -119.4 | -172.6 | 160.3 | 41.1 | -28.4 | 0 | 0 | 0 | 111.9 | ||||
| 309 | P | 52.3 | Low | 37.3 | Very low | 116 Ų | 116 | 163.4 Ų | 163.4 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | -110 | 169 | -76.6 | 38 | -24 | 0 | 0 | 0 | 112.9 | |||||
| 310 | L | 36.4 | Very low | 37.9 | Very low | 176 Ų | 176 | 164.7 Ų | 164.7 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -127.7 | 116.5 | 159.5 | -88.4 | 176.1 | 0 | 0 | 0 | 111.8 | ||||
| 311 | R | 43.1 | Very low | 38.3 | Very low | 235 Ų | 235 | 162 Ų | 162 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | -58.7 | 146.7 | 154.2 | -75 | -179.4 | 170.1 | 138.1 | -1.9 | 108.4 | ||||
| 312 | V | 34.2 | Very low | 38.7 | Very low | 130 Ų | 130 | 160.5 Ų | 160.5 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | trans | -177.6 | 130.4 | 134.9 | 142.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 313 | L | 39.4 | Very low | 38.9 | Very low | 154 Ų | 154 | 160 Ų | 160 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | trans | 71 | 108.8 | 151.2 | -66.9 | 165.8 | 0 | 0 | 0 | 122.7 | ||||
| 314 | R | 42.6 | Very low | 38.9 | Very low | 213 Ų | 213 | 153.3 Ų | 153.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -46.1 | 150.6 | 144.6 | -138.2 | -175.6 | -112.8 | 150 | -5.4 | 111.1 | ||||
| 315 | P | 40.5 | Very low | 39.2 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -117.5 | 132.4 | 131.2 | -3.7 | 23.5 | 0 | 0 | 0 | 111.7 | ||||
| 316 | L | 45.1 | Very low | 39.5 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | -87.8 | 152 | 163 | -105.7 | 168.7 | 0 | 0 | 0 | 109.3 | ||||
| 317 | T | 37.3 | Very low | 39.1 | Very low | 126 Ų | 126 | 151.8 Ų | 151.8 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 103.4 | 139.7 | 152.7 | 75.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 318 | R | 35.4 | Very low | 39.3 | Very low | 236 Ų | 236 | 152.6 Ų | 152.6 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | 92.1 | 126.3 | 153.4 | -141.5 | 167.5 | -164.5 | -179 | 4.6 | 114.4 | ||||
| 319 | S | 33.6 | Very low | 39.4 | Very low | 100 Ų | 100 | 151.2 Ų | 151.2 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | cis | -153.1 | 144.7 | 18.7 | -136.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 320 | R | 43.6 | Very low | 38.6 | Very low | 243 Ų | 243 | 158.5 Ų | 158.5 | 92% | 0.917 | 84% | 0.837 | S | S | * | * | trans | -84.6 | 124.4 | 167.3 | -176.1 | -177.5 | -175.3 | -167.7 | 1.5 | 107.3 | ||||
| 321 | S | 38.2 | Very low | 38.7 | Very low | 107 Ų | 107 | 157.6 Ų | 157.6 | 75% | 0.748 | 83% | 0.833 | S | S | * | * | trans | -121.8 | 107.1 | 167.1 | -62.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 322 | A | 37.8 | Very low | 38.4 | Very low | 89 Ų | 89 | 153.5 Ų | 153.5 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | 69.7 | 100 | 103.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 323 | L | 38.6 | Very low | 38.7 | Very low | 177 Ų | 177 | 154.8 Ų | 154.8 | 93% | 0.927 | 83% | 0.832 | S | S | * | * | 59.7 | 94.1 | 75.1 | -154.4 | 119 | 0 | 0 | 0 | 112.2 | |||||
| 324 | S | 34.3 | Very low | 38.6 | Very low | 109 Ų | 109 | 154.9 Ų | 154.9 | 76% | 0.762 | 83% | 0.834 | S | S | * | * | trans | 168.5 | 109.6 | 140.2 | -174 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 325 | S | 36 | Very low | 38.4 | Very low | 113 Ų | 113 | 151.3 Ų | 151.3 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | -166.9 | 113.8 | 129.4 | -167 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 326 | N | 41.5 | Very low | 38.2 | Very low | 140 Ų | 140 | 152.9 Ų | 152.9 | 75% | 0.749 | 84% | 0.836 | S | S | * | * | trans | -59.6 | 138.7 | 173.9 | -58.9 | -71.8 | 0 | 0 | 0 | 112.5 | ||||
| 327 | N | 36.6 | Very low | 37.8 | Very low | 149 Ų | 149 | 154.4 Ų | 154.4 | 80% | 0.797 | 85% | 0.847 | S | S | * | * | trans | 172.3 | 78.8 | 134.4 | 39.4 | 1.8 | 0 | 0 | 0 | 112.3 | A329 | N327-A329 PolarHBondContact O-N 3.29Š| ||
| 328 | E | 37.8 | Very low | 37.8 | Very low | 212 Ų | 212 | 156.5 Ų | 156.5 | 99% | 0.991 | 85% | 0.853 | S | S | * | * | trans | -72.9 | 110.7 | 145.9 | -80.9 | -173.7 | 94.7 | 0 | 0 | 107.6 | ||||
| 329 | A | 43 | Very low | 38 | Very low | 91 Ų | 91 | 149.9 Ų | 149.9 | 75% | 0.752 | 85% | 0.849 | S | S | * | * | trans | -139.7 | 128.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | N327 | N327-A329 PolarHBondContact O-N 3.29Š| ||
| 330 | M | 35.1 | Very low | 38.4 | Very low | 269 Ų | 269 | 154.5 Ų | 154.5 | 100% | 1.325 | 86% | 0.863 | S | S | * | * | trans | 96 | 0 | 172.5 | -137.6 | 162.7 | -157.7 | 0 | 0 | 116.9 |
Retrieved 330 of 330 residues in 362.4 ms
(Link to these results)