| 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 | 35.3 | Very low | 37.7 | Very low | 234 Ų | 234 | 159.8 Ų | 159.8 | 100% | 1.153 | 83% | 0.833 | S | S | * | * | 0 | 112.2 | 0 | -162.5 | 170.4 | 167.3 | 0 | 0 | 107.8 | |||||
| 2 | I | 36.6 | Very low | 38 | Very low | 146 Ų | 146 | 156.9 Ų | 156.9 | 75% | 0.749 | 84% | 0.836 | S | S | * | * | trans | 35.5 | 114 | 156.8 | -55 | 171.3 | 0 | 0 | 0 | 118.7 | ||||
| 3 | L | 33.6 | Very low | 38.1 | Very low | 164 Ų | 164 | 154 Ų | 154 | 86% | 0.859 | 84% | 0.836 | S | S | * | * | trans | -68.3 | 127.9 | 155.5 | -150.8 | 92.7 | 0 | 0 | 0 | 109 | ||||
| 4 | R | 33.3 | Very low | 38.1 | Very low | 234 Ų | 234 | 148.1 Ų | 148.1 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -147 | 114.7 | 158.3 | -137.4 | 177 | -177.6 | 178.4 | 0.4 | 112.2 | ||||
| 5 | V | 40.8 | Very low | 38.2 | Very low | 110 Ų | 110 | 152.9 Ų | 152.9 | 67% | 0.667 | 83% | 0.829 | S | S | * | * | trans | -54.8 | 146 | 173.4 | 169.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 6 | T | 36.4 | Very low | 38.4 | Very low | 138 Ų | 138 | 156.9 Ų | 156.9 | 85% | 0.847 | 84% | 0.836 | S | S | * | * | trans | -139.9 | 117.3 | 147.1 | 10.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 7 | L | 40.7 | Very low | 38.6 | Very low | 151 Ų | 151 | 156.8 Ų | 156.8 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | trans | -54.2 | 144.9 | 168.5 | -72.9 | 143.1 | 0 | 0 | 0 | 111.7 | ||||
| 8 | R | 32.9 | Very low | 38.9 | Very low | 235 Ų | 235 | 161.1 Ų | 161.1 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | trans | -168 | 114.1 | 140.4 | -111.6 | 178.3 | -82.5 | -153.2 | 1.3 | 111.3 | ||||
| 9 | N | 41.7 | Very low | 39.3 | Very low | 159 Ų | 159 | 159.2 Ų | 159.2 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | -128 | 124.4 | 149.9 | -132.8 | -34.8 | 0 | 0 | 0 | 104.4 | ||||
| 10 | P | 44.7 | Very low | 39.5 | Very low | 118 Ų | 118 | 160.3 Ų | 160.3 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | -150.8 | 139.2 | 116.8 | 33.6 | -14.7 | 0 | 0 | 0 | 114.7 | |||||
| 11 | G | 38.8 | Very low | 40 | Very low | 69 Ų | 69 | 157.5 Ų | 157.5 | 71% | 0.711 | 83% | 0.832 | S | S | * | * | 60.9 | 116.7 | 128.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 12 | S | 40.7 | Very low | 40.3 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | 73.8 | 111.7 | 138.5 | -166 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 13 | S | 39.8 | Very low | 41 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | 178.6 | 147 | 108.2 | 86.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 14 | G | 38.3 | Very low | 41.4 | Very low | 71 Ų | 71 | 144.3 Ų | 144.3 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 115.2 | 104.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 15 | R | 39.5 | Very low | 42.1 | Very low | 220 Ų | 220 | 138 Ų | 138 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | 72.5 | 97.9 | 155.5 | -70.8 | -173.6 | -177 | -174.8 | 2.9 | 119.3 | E17 | R15-E17 PolarHBondContact O-N 3.23Š| ||
| 16 | K | 41.9 | Very low | 42.2 | Very low | 218 Ų | 218 | 142.8 Ų | 142.8 | 95% | 0.948 | 80% | 0.8 | S | S | * | * | trans | -61.7 | 104.1 | 140.7 | -87.4 | -174.3 | 172.6 | -179.7 | 0 | 108.4 | ||||
| 17 | E | 41.3 | Very low | 42.7 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 120 | 156.7 | -64.9 | -147.7 | 163.2 | 0 | 0 | 108.7 | R15 | R15-E17 PolarHBondContact O-N 3.23Š|
| 18 | R | 44.7 | Very low | 43 | Very low | 234 Ų | 234 | 136.5 Ų | 136.5 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 119.2 | 176.7 | -171.2 | -176.1 | -164.4 | 175 | 3 | 106.6 | E20 | R18-E20 PolarHBondContact O-N 2.83Š|
| 19 | P | 46.1 | Very low | 43.7 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 117.9 | 170.1 | 17.9 | -12.9 | 0 | 0 | 0 | 108.2 | ||
| 20 | E | 42.7 | Very low | 44.2 | Very low | 182 Ų | 182 | 131.1 Ų | 131.1 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | -35.3 | 137.3 | 165.9 | -74.5 | -72.8 | 143.1 | 0 | 0 | 111.9 | R18 G22 | R18-E20 PolarHBondContact O-N 2.83Å; E20-G22 VanDerWaalsContact C-N 3.28Å; E20-G22 PolarHBondContact O-N 3.18Å | ||
| 21 | A | 50.7 | Low | 44.4 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | trans | -69 | 83.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 22 | G | 41.5 | Very low | 45 | Very low | 64 Ų | 64 | 134.8 Ų | 134.8 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | trans | -87.6 | 98.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | E20 G24 | E20-G22 VanDerWaalsContact C-N 3.28Å; E20-G22 PolarHBondContact O-N 3.18Å; G22-G24 VanDerWaalsContact C-N 3.32Å; G22-G24 PolarHBondContact O-N 2.91Å | ||
| 23 | T | 50.7 | Low | 45.6 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 95% | 0.945 | 72% | 0.723 | S | S | * | * | trans | -62 | 90.8 | 165.3 | 40.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 24 | G | 43.2 | Very low | 46.2 | Very low | 50 Ų | 50 | 134.3 Ų | 134.3 | 52% | 0.515 | 71% | 0.711 | S | S | . | * | trans | -147 | 114.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | G22 W26 | G22-G24 VanDerWaalsContact C-N 3.32Å; G22-G24 PolarHBondContact O-N 2.91Å; G24-W26 PolarHBondContact O-N 3.23Å | ||
| 25 | S | 46.2 | Very low | 46.9 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | -34.4 | 109.6 | -179.2 | 179.3 | 0 | 0 | 0 | 0 | 115.8 | L27 | S25-L27 PolarHBondContact O-N 3.36Š| ||
| 26 | W | 42.9 | Very low | 47.6 | Very low | 211 Ų | 211 | 130.4 Ų | 130.4 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 3 | 170.1 | -73.9 | 88.3 | 0 | 0 | 0 | 113.8 | G24 | G24-W26 PolarHBondContact O-N 3.23Š|
| 27 | L | 48.7 | Very low | 47.9 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 60% | 0.597 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -7.1 | -175.2 | -87.2 | 154.3 | 0 | 0 | 0 | 114.3 | S25 | S25-L27 PolarHBondContact O-N 3.36Š|
| 28 | G | 47 | Very low | 48.1 | Very low | 42 Ų | 42 | 122.1 Ų | 122.1 | 43% | 0.433 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -93.3 | -26.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 29 | R | 47.3 | Very low | 48.4 | Very low | 191 Ų | 191 | 113.3 Ų | 113.3 | 72% | 0.721 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -83.7 | -27.5 | -168.7 | -162.2 | 173.2 | -73.7 | 148.4 | -2.6 | 113.8 | ||
| 30 | T | 51.4 | Low | 48.3 | Very low | 90 Ų | 90 | 113.5 Ų | 113.5 | 55% | 0.552 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -85.8 | -26.9 | -178.6 | 43 | 0 | 0 | 0 | 0 | 113.8 | V34 | T30-V34 WeakPolarHBondContact O-CG2 3.3Å; T30-V34 PolarHBondContact O-N 2.97Å |
| 31 | R | 49.4 | Very low | 48.6 | Very low | 162 Ų | 162 | 112 Ų | 112 | 61% | 0.611 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.6 | -41.7 | 179.8 | -73.8 | -176.8 | -176.6 | 158.8 | 2.2 | 112.7 | Q33 V34 I35 | R31-Q33 PolarHBondContact O-N 3.45Å; R31-V34 PolarHBondContact O-N 2.64Å; R31-I35 HydrophobicContact CB-CD1 4.43Å; R31-I35 WeakPolarHBondContact O-CB 3.24Å; R31-I35 WeakPolarHBondContact O-CD1 3.37Å; R31-I35 WeakPolarHBondContact O-CG1 3.16Å; R31-I35 PolarHBondContact O-N 3.35Å |
| 32 | N | 51.4 | Low | 48.4 | Very low | 103 Ų | 103 | 117.2 Ų | 117.2 | 55% | 0.551 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.9 | -30.8 | -176.9 | -69.2 | -9.2 | 0 | 0 | 0 | 112.8 | N36 | N32-N36 VanDerWaalsContact O-CB 3.3Å; N32-N36 WeakPolarHBondContact O-CB 3.34Å; N32-N36 VanDerWaalsContact O-CG 3.22Å; N32-N36 PolarHBondContact O-N 3.31Å; N32-N36 PolarHBondContact O-ND2 3.36Å |
| 33 | Q | 53.3 | Low | 48.4 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 66% | 0.659 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68 | -42.2 | 172.3 | -90.1 | -178.6 | -11.6 | 0 | 0 | 112.3 | R31 N36 T37 | R31-Q33 PolarHBondContact O-N 3.45Å; Q33-N36 PolarHBondContact O-N 3.25Å; Q33-T37 PolarHBondContact O-N 2.99Å; Q33-T37 PolarHBondContact O-OG1 3.48Å |
| 34 | V | 52.4 | Low | 48.1 | Very low | 93 Ų | 93 | 126 Ų | 126 | 56% | 0.564 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.7 | -38.5 | 177.6 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | T30 R31 T37 L38 | T30-V34 WeakPolarHBondContact O-CG2 3.3Å; T30-V34 PolarHBondContact O-N 2.97Å; R31-V34 PolarHBondContact O-N 2.64Å; V34-T37 WeakPolarHBondContact CA-OG1 3.44Å; V34-T37 PolarHBondContact O-OG1 3.48Å; V34-L38 WeakPolarHBondContact O-CB 3.18Å; V34-L38 PolarHBondContact O-N 2.81Å |
| 35 | I | 53.5 | Low | 48 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 50% | 0.497 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.3 | -40.2 | 176.8 | -65.8 | 163.8 | 0 | 0 | 0 | 110.6 | R31 L38 A39 | R31-I35 HydrophobicContact CB-CD1 4.43Å; R31-I35 WeakPolarHBondContact O-CB 3.24Å; R31-I35 WeakPolarHBondContact O-CD1 3.37Å; R31-I35 WeakPolarHBondContact O-CG1 3.16Å; R31-I35 PolarHBondContact O-N 3.35Å; I35-L38 PolarHBondContact O-N 2.89Å; I35-A39 VanDerWaalsContact O-CB 3.24Å; I35-A39 WeakPolarHBondContact O-CB 3.45Å; I35-A39 PolarHBondContact O-N 2.89Å |
| 36 | N | 52.4 | Low | 48 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 60% | 0.599 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.1 | -36.9 | 177.5 | -73.1 | -9.1 | 0 | 0 | 0 | 112.4 | N32 Q33 A39 D40 | N32-N36 VanDerWaalsContact O-CB 3.3Å; N32-N36 WeakPolarHBondContact O-CB 3.34Å; N32-N36 VanDerWaalsContact O-CG 3.22Å; N32-N36 PolarHBondContact O-N 3.31Å; N32-N36 PolarHBondContact O-ND2 3.36Å; Q33-N36 PolarHBondContact O-N 3.25Å; N36-A39 PolarHBondContact O-N 2.96Å; N36-D40 VanDerWaalsContact O-CB 3.31Å; N36-D40 WeakPolarHBondContact O-CB 3.31Å; N36-D40 PolarHBondContact O-N 3.46Å |
| 37 | T | 50.2 | Low | 48.3 | Very low | 89 Ų | 89 | 124.6 Ų | 124.6 | 55% | 0.546 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69.5 | -33.9 | 171.9 | 29.3 | 0 | 0 | 0 | 0 | 112.7 | Q33 V34 H41 | Q33-T37 PolarHBondContact O-N 2.99Å; Q33-T37 PolarHBondContact O-OG1 3.48Å; V34-T37 WeakPolarHBondContact CA-OG1 3.44Å; V34-T37 PolarHBondContact O-OG1 3.48Å; T37-H41 PolarHBondContact O-N 3.01Å |
| 38 | L | 45.3 | Very low | 48.3 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 57% | 0.571 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.3 | -33.6 | 174.9 | -168.9 | 72.4 | 0 | 0 | 0 | 112.3 | V34 I35 | V34-L38 WeakPolarHBondContact O-CB 3.18Å; V34-L38 PolarHBondContact O-N 2.81Å; I35-L38 PolarHBondContact O-N 2.89Å |
| 39 | A | 49.7 | Very low | 48.5 | Very low | 49 Ų | 49 | 127.4 Ų | 127.4 | 41% | 0.405 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -72.2 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I35 N36 H41 R42 | I35-A39 VanDerWaalsContact O-CB 3.24Å; I35-A39 WeakPolarHBondContact O-CB 3.45Å; I35-A39 PolarHBondContact O-N 2.89Å; N36-A39 PolarHBondContact O-N 2.96Å; A39-H41 PolarHBondContact O-N 3.33Å; A39-R42 PolarHBondContact O-N 3.29Å |
| 40 | D | 45.4 | Very low | 48.8 | Very low | 129 Ų | 129 | 121.9 Ų | 121.9 | 69% | 0.69 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.2 | -25.7 | 177.3 | -156.2 | 45.9 | 0 | 0 | 0 | 112.2 | N36 R42 | N36-D40 VanDerWaalsContact O-CB 3.31Å; N36-D40 WeakPolarHBondContact O-CB 3.31Å; N36-D40 PolarHBondContact O-N 3.46Å; D40-R42 VanDerWaalsContact C-N 3.33Å |
| 41 | H | 47.7 | Very low | 49.4 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 69% | 0.694 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -6.9 | 170.9 | -84.2 | 22.7 | 0 | 0 | 0 | 115.1 | T37 A39 | T37-H41 PolarHBondContact O-N 3.01Å; A39-H41 PolarHBondContact O-N 3.33Å |
| 42 | R | 46.5 | Very low | 50.4 | Low | 210 Ų | 210 | 117.4 Ų | 117.4 | 79% | 0.792 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -0.2 | 178 | -76.9 | -169.4 | 178.4 | -162 | 1.2 | 114.8 | A39 D40 | A39-R42 PolarHBondContact O-N 3.29Å; D40-R42 VanDerWaalsContact C-N 3.33Å |
| 43 | H | 41.5 | Very low | 51.1 | Low | 176 Ų | 176 | 121.8 Ų | 121.8 | 82% | 0.815 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -106.4 | 10 | 175 | -92.8 | -65.4 | 0 | 0 | 0 | 114.9 | G45 | H43-G45 PolarHBondContact O-N 3.13Å; H43-G45 VanDerWaalsContact O-N 3.13Å |
| 44 | R | 44.4 | Very low | 52 | Low | 226 Ų | 226 | 119.9 Ų | 119.9 | 85% | 0.853 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -86.2 | 90.8 | 178.4 | -158.4 | 175 | -175.3 | -159.4 | 1.1 | 110.6 | ||
| 45 | G | 41 | Very low | 53.1 | Low | 48 Ų | 48 | 121.5 Ų | 121.5 | 50% | 0.495 | 66% | 0.655 | S | S | . | * | trans | 52.6 | 114.2 | 151.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | H43 D47 | H43-G45 PolarHBondContact O-N 3.13Å; H43-G45 VanDerWaalsContact O-N 3.13Å; G45-D47 PolarHBondContact O-N 3.25Å | ||
| 46 | T | 46.8 | Very low | 54.2 | Low | 139 Ų | 139 | 122 Ų | 122 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | trans | -63.9 | 58.6 | 146.6 | 41.4 | 0 | 0 | 0 | 0 | 110.3 | L48 | T46-L48 PolarHBondContact O-N 2.65Š| ||
| 47 | D | 48.9 | Very low | 55.3 | Low | 146 Ų | 146 | 120.1 Ų | 120.1 | 78% | 0.781 | 65% | 0.647 | S | S | * | * | trans | -83.2 | 67 | 162.4 | -66.3 | -34.6 | 0 | 0 | 0 | 106.1 | G45 G49 | G45-D47 PolarHBondContact O-N 3.25Å; D47-G49 PolarHBondContact O-N 2.84Å | ||
| 48 | L | 48.6 | Very low | 56.6 | Low | 161 Ų | 161 | 120.2 Ų | 120.2 | 84% | 0.843 | 65% | 0.647 | S | S | * | * | trans | -56.3 | 99.5 | 158.9 | -74.3 | 170.4 | 0 | 0 | 0 | 105.9 | T46 G50 | T46-L48 PolarHBondContact O-N 2.65Å; L48-G50 PolarHBondContact O-N 2.74Å | ||
| 49 | G | 51.6 | Low | 58.1 | Low | 55 Ų | 55 | 119.3 Ų | 119.3 | 57% | 0.567 | 65% | 0.647 | S | S | * | * | trans | -0.4 | 102.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D47 S51 | D47-G49 PolarHBondContact O-N 2.84Å; G49-S51 PolarHBondContact O-N 2.96Å | ||
| 50 | G | 54.1 | Low | 59.3 | Low | 75 Ų | 75 | 124.1 Ų | 124.1 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | trans | -57.7 | 69.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L48 P52 | L48-G50 PolarHBondContact O-N 2.74Å; G50-P52 WeakPolarHBondContact O-CD 3.33Å | ||
| 51 | S | 63 | Low | 60.8 | Low | 63 Ų | 63 | 122.4 Ų | 122.4 | 44% | 0.441 | 65% | 0.649 | S | S | . | * | trans | -95.5 | 105.3 | 154.8 | -79 | 0 | 0 | 0 | 0 | 106.5 | G49 W53 L54 | G49-S51 PolarHBondContact O-N 2.96Å; S51-W53 PolarHBondContact O-N 3.44Å; S51-L54 PolarHBondContact O-N 3.03Å | ||
| 52 | P | 69.8 | Low | 62.2 | Low | 94 Ų | 94 | 125 Ų | 125 | 61% | 0.61 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -48.1 | -30.9 | 172.6 | -27.7 | 34.7 | 0 | 0 | 0 | 112 | G50 L54 L55 I56 | G50-P52 WeakPolarHBondContact O-CD 3.33Å; P52-L54 PolarHBondContact O-N 3.46Å; P52-L55 PolarHBondContact O-N 3.03Å; P52-I56 WeakPolarHBondContact O-CD1 3.44Å; P52-I56 WeakPolarHBondContact O-CG1 3.34Å; P52-I56 PolarHBondContact O-N 2.92Å |
| 53 | W | 66.3 | Low | 63.5 | Low | 195 Ų | 195 | 118.3 Ų | 118.3 | 74% | 0.739 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -56.9 | -40.3 | 172.2 | -107.7 | 71 | 0 | 0 | 0 | 115.1 | S51 I56 I57 | S51-W53 PolarHBondContact O-N 3.44Å; W53-I56 PolarHBondContact O-N 3.37Å; W53-I57 HydrophobicContact CE3-CD1 3.64Å; W53-I57 HydrophobicContact CE3-CG1 4.35Å; W53-I57 HydrophobicContact CZ3-CD1 4.04Å; W53-I57 WeakPolarHBondContact O-CB 3.46Å; W53-I57 WeakPolarHBondContact O-CD1 3.49Å; W53-I57 WeakPolarHBondContact O-CG1 3.37Å; W53-I57 PolarHBondContact O-N 3.49Å |
| 54 | L | 73.9 | Confident | 65.4 | Low | 102 Ų | 102 | 116.7 Ų | 116.7 | 53% | 0.534 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -71.4 | -39.3 | 179.4 | -69.1 | 176.7 | 0 | 0 | 0 | 111.4 | S51 P52 I56 I57 T58 | S51-L54 PolarHBondContact O-N 3.03Å; P52-L54 PolarHBondContact O-N 3.46Å; L54-I56 VanDerWaalsContact C-N 3.35Å; L54-I57 PolarHBondContact O-N 3.4Å; L54-T58 WeakPolarHBondContact O-CB 3.36Å; L54-T58 PolarHBondContact O-N 2.89Å; L54-T58 PolarHBondContact O-OG1 3.25Å |
| 55 | L | 74.2 | Confident | 67 | Low | 126 Ų | 126 | 112.9 Ų | 112.9 | 66% | 0.66 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.4 | -44.3 | 173.5 | -69.9 | 173.7 | 0 | 0 | 0 | 110.9 | P52 I57 T58 V59 | P52-L55 PolarHBondContact O-N 3.03Å; L55-I57 PolarHBondContact O-N 3.49Å; L55-T58 PolarHBondContact O-N 3.48Å; L55-V59 WeakPolarHBondContact O-CB 3.45Å; L55-V59 VanDerWaalsContact O-CG2 3.24Å; L55-V59 WeakPolarHBondContact O-CG2 3.36Å; L55-V59 PolarHBondContact O-N 3.27Å |
| 56 | I | 76.9 | Confident | 68.5 | Low | 109 Ų | 109 | 116.9 Ų | 116.9 | 56% | 0.559 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.3 | -47.9 | 176.2 | -66.4 | 162.3 | 0 | 0 | 0 | 110.9 | P52 W53 L54 T58 V59 F60 | P52-I56 WeakPolarHBondContact O-CD1 3.44Å; P52-I56 WeakPolarHBondContact O-CG1 3.34Å; P52-I56 PolarHBondContact O-N 2.92Å; W53-I56 PolarHBondContact O-N 3.37Å; L54-I56 VanDerWaalsContact C-N 3.35Å; I56-T58 VanDerWaalsContact C-N 3.33Å; I56-T58 PolarHBondContact O-N 2.85Å; I56-V59 PolarHBondContact O-N 2.9Å; I56-F60 WeakPolarHBondContact O-CB 3.06Å; I56-F60 PolarHBondContact O-N 3.49Å |
| 57 | I | 75.9 | Confident | 69.9 | Low | 71 Ų | 71 | 112.9 Ų | 112.9 | 36% | 0.364 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.4 | -42.8 | 178.5 | -70.4 | 164.6 | 0 | 0 | 0 | 110.9 | W53 L54 L55 F60 L61 | W53-I57 HydrophobicContact CE3-CD1 3.64Å; W53-I57 HydrophobicContact CE3-CG1 4.35Å; W53-I57 HydrophobicContact CZ3-CD1 4.04Å; W53-I57 WeakPolarHBondContact O-CB 3.46Å; W53-I57 WeakPolarHBondContact O-CD1 3.49Å; W53-I57 WeakPolarHBondContact O-CG1 3.37Å; W53-I57 PolarHBondContact O-N 3.49Å; L54-I57 PolarHBondContact O-N 3.4Å; L55-I57 PolarHBondContact O-N 3.49Å; I57-F60 PolarHBondContact O-N 3.05Å; I57-L61 HydrophobicContact CG2-CD1 4.02Å; I57-L61 WeakPolarHBondContact O-CB 3.36Å; I57-L61 PolarHBondContact O-N 3.28Å |
| 58 | T | 77.1 | Confident | 71.4 | Confident | 91 Ų | 91 | 109.2 Ų | 109.2 | 56% | 0.558 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70 | -42 | -176.6 | -45 | 0 | 0 | 0 | 0 | 111.4 | L54 L55 I56 R62 | L54-T58 WeakPolarHBondContact O-CB 3.36Å; L54-T58 PolarHBondContact O-N 2.89Å; L54-T58 PolarHBondContact O-OG1 3.25Å; L55-T58 PolarHBondContact O-N 3.48Å; I56-T58 VanDerWaalsContact C-N 3.33Å; I56-T58 PolarHBondContact O-N 2.85Å; T58-R62 VanDerWaalsContact O-CB 3.3Å; T58-R62 WeakPolarHBondContact O-CB 3.46Å; T58-R62 PolarHBondContact O-N 3.41Å |
| 59 | V | 76.4 | Confident | 72.7 | Confident | 91 Ų | 91 | 105 Ų | 105 | 55% | 0.552 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.3 | -45.2 | 173.4 | 171.5 | 0 | 0 | 0 | 0 | 110.2 | L55 I56 L61 R62 S63 | L55-V59 WeakPolarHBondContact O-CB 3.45Å; L55-V59 VanDerWaalsContact O-CG2 3.24Å; L55-V59 WeakPolarHBondContact O-CG2 3.36Å; L55-V59 PolarHBondContact O-N 3.27Å; I56-V59 PolarHBondContact O-N 2.9Å; V59-L61 PolarHBondContact O-N 3.4Å; V59-R62 PolarHBondContact O-N 3.31Å; V59-S63 WeakPolarHBondContact O-CB 3.38Å; V59-S63 PolarHBondContact O-N 3.25Å; V59-S63 PolarHBondContact O-OG 3.02Å; V59-S63 VanDerWaalsContact O-OG 3.08Å |
| 60 | F | 74.3 | Confident | 73.9 | Confident | 150 Ų | 150 | 106.5 Ų | 106.5 | 66% | 0.658 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.8 | -44.2 | 178.4 | -170.2 | -96.3 | 0 | 0 | 0 | 112.3 | I56 I57 R62 S63 Y64 | I56-F60 WeakPolarHBondContact O-CB 3.06Å; I56-F60 PolarHBondContact O-N 3.49Å; I57-F60 PolarHBondContact O-N 3.05Å; F60-R62 VanDerWaalsContact C-N 3.33Å; F60-R62 PolarHBondContact O-N 3.3Å; F60-S63 PolarHBondContact O-N 3.27Å; F60-Y64 VanDerWaalsContact O-CB 3.25Å; F60-Y64 WeakPolarHBondContact O-CB 3.34Å; F60-Y64 PolarHBondContact O-N 3.32Å |
| 61 | L | 77.1 | Confident | 74.8 | Confident | 93 Ų | 93 | 106.3 Ų | 106.3 | 49% | 0.487 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 175 | -110 | 78.7 | 0 | 0 | 0 | 112.1 | I57 V59 K65 | I57-L61 HydrophobicContact CG2-CD1 4.02Å; I57-L61 WeakPolarHBondContact O-CB 3.36Å; I57-L61 PolarHBondContact O-N 3.28Å; V59-L61 PolarHBondContact O-N 3.4Å; L61-K65 WeakPolarHBondContact O-CB 3.36Å; L61-K65 WeakPolarHBondContact O-CG 3.49Å; L61-K65 PolarHBondContact O-N 3.02Å |
| 62 | R | 78.3 | Confident | 75.6 | Confident | 205 Ų | 205 | 107.3 Ų | 107.3 | 77% | 0.774 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.8 | -45.1 | 179.6 | -173.6 | 171.1 | 175.7 | 147.9 | -2.3 | 111.1 | T58 V59 F60 K65 F66 | T58-R62 VanDerWaalsContact O-CB 3.3Å; T58-R62 WeakPolarHBondContact O-CB 3.46Å; T58-R62 PolarHBondContact O-N 3.41Å; V59-R62 PolarHBondContact O-N 3.31Å; F60-R62 VanDerWaalsContact C-N 3.33Å; F60-R62 PolarHBondContact O-N 3.3Å; R62-K65 PolarHBondContact O-N 2.67Å; R62-F66 WeakPolarHBondContact O-CB 3.49Å; R62-F66 PolarHBondContact O-N 2.94Å |
| 63 | S | 74.1 | Confident | 75.9 | Confident | 68 Ų | 68 | 105.5 Ų | 105.5 | 48% | 0.476 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 175.7 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | V59 F60 F66 A67 | V59-S63 WeakPolarHBondContact O-CB 3.38Å; V59-S63 PolarHBondContact O-N 3.25Å; V59-S63 PolarHBondContact O-OG 3.02Å; V59-S63 VanDerWaalsContact O-OG 3.08Å; F60-S63 PolarHBondContact O-N 3.27Å; S63-F66 PolarHBondContact O-N 3.35Å; S63-A67 WeakPolarHBondContact O-CB 3.45Å; S63-A67 PolarHBondContact O-N 2.9Å |
| 64 | Y | 81.3 | Confident | 76.4 | Confident | 142 Ų | 142 | 103.1 Ų | 103.1 | 56% | 0.557 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.6 | -45.6 | 175.8 | 172.6 | -108.6 | 0 | 0 | 0 | 112.2 | F60 F66 A67 I68 | F60-Y64 VanDerWaalsContact O-CB 3.25Å; F60-Y64 WeakPolarHBondContact O-CB 3.34Å; F60-Y64 PolarHBondContact O-N 3.32Å; Y64-F66 VanDerWaalsContact C-N 3.28Å; Y64-F66 PolarHBondContact O-N 3.38Å; Y64-A67 PolarHBondContact O-N 3.04Å; Y64-I68 HydrophobicContact CD1-CD1 3.71Å; Y64-I68 HydrophobicContact CD2-CD1 4.23Å; Y64-I68 HydrophobicContact CD2-CG1 4.42Å; Y64-I68 HydrophobicContact CE1-CD1 3.19Å; Y64-I68 HydrophobicContact CE1-CG1 4.3Å; Y64-I68 HydrophobicContact CE2-CD1 3.76Å; Y64-I68 HydrophobicContact CE2-CG1 4.03Å; Y64-I68 HydrophobicContact CG-CD1 4.21Å; Y64-I68 WeakPolarHBondContact O-CG1 3.45Å; Y64-I68 PolarHBondContact O-N 3.32Å |
| 65 | K | 78.4 | Confident | 76.5 | Confident | 146 Ų | 146 | 102.6 Ų | 102.6 | 64% | 0.635 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.4 | -39.7 | 173.8 | -77.5 | -177.3 | 175.1 | -176.5 | 0 | 111.9 | L61 R62 S69 | L61-K65 WeakPolarHBondContact O-CB 3.36Å; L61-K65 WeakPolarHBondContact O-CG 3.49Å; L61-K65 PolarHBondContact O-N 3.02Å; R62-K65 PolarHBondContact O-N 2.67Å; K65-S69 WeakPolarHBondContact O-CB 3.37Å; K65-S69 PolarHBondContact O-N 3.37Å |
| 66 | F | 71.3 | Confident | 76.5 | Confident | 133 Ų | 133 | 99.7 Ų | 99.7 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.9 | -41.6 | 176.4 | -165.8 | -105.8 | 0 | 0 | 0 | 112 | R62 S63 Y64 S69 L70 | R62-F66 WeakPolarHBondContact O-CB 3.49Å; R62-F66 PolarHBondContact O-N 2.94Å; S63-F66 PolarHBondContact O-N 3.35Å; Y64-F66 VanDerWaalsContact C-N 3.28Å; Y64-F66 PolarHBondContact O-N 3.38Å; F66-S69 WeakPolarHBondContact O-CB 3.19Å; F66-S69 PolarHBondContact O-N 3.47Å; F66-L70 HydrophobicContact CD1-CD1 3.65Å; F66-L70 HydrophobicContact CD1-CG 4.15Å; F66-L70 HydrophobicContact CE1-CD1 3.45Å; F66-L70 VanDerWaalsContact CE1-CD1 3.45Å; F66-L70 HydrophobicContact CE1-CD2 4.41Å; F66-L70 HydrophobicContact CE1-CG 3.98Å; F66-L70 HydrophobicContact CZ-CD1 4.27Å; F66-L70 HydrophobicContact CZ-CD2 4.45Å; F66-L70 HydrophobicContact CZ-CG 4.4Å; F66-L70 WeakPolarHBondContact O-CB 3.36Å; F66-L70 WeakPolarHBondContact O-CG 3.26Å; F66-L70 PolarHBondContact O-N 2.89Å |
| 67 | A | 75.8 | Confident | 76.3 | Confident | 54 Ų | 54 | 98.9 Ų | 98.9 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | S63 Y64 L70 C71 | S63-A67 WeakPolarHBondContact O-CB 3.45Å; S63-A67 PolarHBondContact O-N 2.9Å; Y64-A67 PolarHBondContact O-N 3.04Å; A67-L70 PolarHBondContact O-N 3.16Å; A67-C71 VanDerWaalsContact O-CB 3.26Å; A67-C71 WeakPolarHBondContact O-CB 3.43Å; A67-C71 PolarHBondContact O-N 2.84Å |
| 68 | I | 80.3 | Confident | 76 | Confident | 69 Ų | 69 | 97.5 Ų | 97.5 | 35% | 0.354 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 171.7 | -66 | 162.3 | 0 | 0 | 0 | 109.9 | Y64 L70 C71 T72 | Y64-I68 HydrophobicContact CD1-CD1 3.71Å; Y64-I68 HydrophobicContact CD2-CD1 4.23Å; Y64-I68 HydrophobicContact CD2-CG1 4.42Å; Y64-I68 HydrophobicContact CE1-CD1 3.19Å; Y64-I68 HydrophobicContact CE1-CG1 4.3Å; Y64-I68 HydrophobicContact CE2-CD1 3.76Å; Y64-I68 HydrophobicContact CE2-CG1 4.03Å; Y64-I68 HydrophobicContact CG-CD1 4.21Å; Y64-I68 WeakPolarHBondContact O-CG1 3.45Å; Y64-I68 PolarHBondContact O-N 3.32Å; I68-L70 VanDerWaalsContact C-N 3.31Å; I68-L70 PolarHBondContact O-N 3.49Å; I68-C71 WeakPolarHBondContact O-CB 3.3Å; I68-C71 PolarHBondContact O-N 3.17Å; I68-C71 VanDerWaalsContact O-N 3.16Å; I68-T72 WeakPolarHBondContact O-CB 3.38Å; I68-T72 PolarHBondContact O-N 3.36Å; I68-T72 PolarHBondContact O-OG1 3.34Å |
| 69 | S | 77.8 | Confident | 75.6 | Confident | 72 Ų | 72 | 99.5 Ų | 99.5 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.8 | -43.7 | 179.2 | -172.6 | 0 | 0 | 0 | 0 | 112 | K65 F66 S73 | K65-S69 WeakPolarHBondContact O-CB 3.37Å; K65-S69 PolarHBondContact O-N 3.37Å; F66-S69 WeakPolarHBondContact O-CB 3.19Å; F66-S69 PolarHBondContact O-N 3.47Å; S69-S73 VanDerWaalsContact O-CB 3.27Å; S69-S73 WeakPolarHBondContact O-CB 3.45Å; S69-S73 PolarHBondContact O-N 3Å; S69-S73 PolarHBondContact O-OG 2.89Å |
| 70 | L | 75.7 | Confident | 75.2 | Confident | 87 Ų | 87 | 99.5 Ų | 99.5 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 175.6 | -75 | 176.6 | 0 | 0 | 0 | 111.3 | F66 A67 I68 S73 Y74 | F66-L70 HydrophobicContact CD1-CD1 3.65Å; F66-L70 HydrophobicContact CD1-CG 4.15Å; F66-L70 HydrophobicContact CE1-CD1 3.45Å; F66-L70 VanDerWaalsContact CE1-CD1 3.45Å; F66-L70 HydrophobicContact CE1-CD2 4.41Å; F66-L70 HydrophobicContact CE1-CG 3.98Å; F66-L70 HydrophobicContact CZ-CD1 4.27Å; F66-L70 HydrophobicContact CZ-CD2 4.45Å; F66-L70 HydrophobicContact CZ-CG 4.4Å; F66-L70 WeakPolarHBondContact O-CB 3.36Å; F66-L70 WeakPolarHBondContact O-CG 3.26Å; F66-L70 PolarHBondContact O-N 2.89Å; A67-L70 PolarHBondContact O-N 3.16Å; I68-L70 VanDerWaalsContact C-N 3.31Å; I68-L70 PolarHBondContact O-N 3.49Å; L70-S73 WeakPolarHBondContact CA-OG 3.2Å; L70-S73 PolarHBondContact O-N 3.02Å; L70-S73 PolarHBondContact O-OG 3Å; L70-Y74 VanDerWaalsContact O-CB 3.28Å; L70-Y74 WeakPolarHBondContact O-CB 3.47Å; L70-Y74 PolarHBondContact O-N 3.38Å |
| 71 | C | 74.1 | Confident | 74.7 | Confident | 71 Ų | 71 | 100.4 Ų | 100.4 | 48% | 0.48 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.2 | -48 | 177 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | A67 I68 S73 Y74 L75 | A67-C71 VanDerWaalsContact O-CB 3.26Å; A67-C71 WeakPolarHBondContact O-CB 3.43Å; A67-C71 PolarHBondContact O-N 2.84Å; I68-C71 WeakPolarHBondContact O-CB 3.3Å; I68-C71 PolarHBondContact O-N 3.17Å; I68-C71 VanDerWaalsContact O-N 3.16Å; C71-S73 PolarHBondContact O-N 3.06Å; C71-Y74 PolarHBondContact O-N 2.81Å; C71-L75 WeakPolarHBondContact O-CB 3.38Å; C71-L75 VanDerWaalsContact O-CG 3.25Å; C71-L75 WeakPolarHBondContact O-CG 3.24Å; C71-L75 PolarHBondContact O-N 3.01Å |
| 72 | T | 79.6 | Confident | 73.9 | Confident | 85 Ų | 85 | 99.2 Ų | 99.2 | 52% | 0.521 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | I68 L75 C76 | I68-T72 WeakPolarHBondContact O-CB 3.38Å; I68-T72 PolarHBondContact O-N 3.36Å; I68-T72 PolarHBondContact O-OG1 3.34Å; T72-L75 PolarHBondContact O-N 3.26Å; T72-C76 WeakPolarHBondContact O-CB 3.18Å; T72-C76 PolarHBondContact O-N 2.96Å |
| 73 | S | 74.8 | Confident | 73.1 | Confident | 56 Ų | 56 | 94.1 Ų | 94.1 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 177.5 | 72 | 0 | 0 | 0 | 0 | 112.3 | S69 L70 C71 C76 V77 | S69-S73 VanDerWaalsContact O-CB 3.27Å; S69-S73 WeakPolarHBondContact O-CB 3.45Å; S69-S73 PolarHBondContact O-N 3Å; S69-S73 PolarHBondContact O-OG 2.89Å; L70-S73 WeakPolarHBondContact CA-OG 3.2Å; L70-S73 PolarHBondContact O-N 3.02Å; L70-S73 PolarHBondContact O-OG 3Å; C71-S73 PolarHBondContact O-N 3.06Å; S73-C76 PolarHBondContact O-N 3.29Å; S73-V77 WeakPolarHBondContact O-CB 3.35Å; S73-V77 VanDerWaalsContact O-CG2 3.29Å; S73-V77 WeakPolarHBondContact O-CG2 3.41Å; S73-V77 PolarHBondContact O-N 3.25Å |
| 74 | Y | 77.9 | Confident | 71.9 | Confident | 145 Ų | 145 | 98.5 Ų | 98.5 | 57% | 0.569 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.6 | -42.5 | 178.8 | -178.5 | -100.7 | 0 | 0 | 0 | 111.8 | L70 C71 C76 S78 | L70-Y74 VanDerWaalsContact O-CB 3.28Å; L70-Y74 WeakPolarHBondContact O-CB 3.47Å; L70-Y74 PolarHBondContact O-N 3.38Å; C71-Y74 PolarHBondContact O-N 2.81Å; Y74-C76 VanDerWaalsContact C-N 3.33Å; Y74-S78 VanDerWaalsContact O-CB 3.28Å; Y74-S78 WeakPolarHBondContact O-CB 3.49Å; Y74-S78 PolarHBondContact O-N 3.07Å; Y74-S78 PolarHBondContact O-OG 3.06Å |
| 75 | L | 75.8 | Confident | 70.6 | Confident | 90 Ų | 90 | 96.5 Ų | 96.5 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 172.5 | -70.6 | 172 | 0 | 0 | 0 | 111.1 | C71 T72 S78 F79 | C71-L75 WeakPolarHBondContact O-CB 3.38Å; C71-L75 VanDerWaalsContact O-CG 3.25Å; C71-L75 WeakPolarHBondContact O-CG 3.24Å; C71-L75 PolarHBondContact O-N 3.01Å; T72-L75 PolarHBondContact O-N 3.26Å; L75-S78 PolarHBondContact O-N 3.11Å; L75-F79 VanDerWaalsContact O-CB 3.31Å; L75-F79 WeakPolarHBondContact O-CB 3.29Å; L75-F79 PolarHBondContact O-N 3.46Å |
| 76 | C | 73.4 | Confident | 69.2 | Low | 66 Ų | 66 | 94.7 Ų | 94.7 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 178.9 | -159.1 | 0 | 0 | 0 | 0 | 111.7 | T72 S73 Y74 S78 F79 L80 | T72-C76 WeakPolarHBondContact O-CB 3.18Å; T72-C76 PolarHBondContact O-N 2.96Å; S73-C76 PolarHBondContact O-N 3.29Å; Y74-C76 VanDerWaalsContact C-N 3.33Å; C76-S78 VanDerWaalsContact C-N 3.32Å; C76-S78 PolarHBondContact O-N 2.64Å; C76-F79 PolarHBondContact O-N 2.89Å; C76-L80 WeakPolarHBondContact O-CB 3.4Å; C76-L80 WeakPolarHBondContact O-CD1 3.42Å; C76-L80 PolarHBondContact O-N 3.28Å |
| 77 | V | 72.2 | Confident | 68.3 | Low | 92 Ų | 92 | 97.4 Ų | 97.4 | 56% | 0.558 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.2 | -39.6 | 174.8 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | S73 F79 K81 | S73-V77 WeakPolarHBondContact O-CB 3.35Å; S73-V77 VanDerWaalsContact O-CG2 3.29Å; S73-V77 WeakPolarHBondContact O-CG2 3.41Å; S73-V77 PolarHBondContact O-N 3.25Å; V77-F79 VanDerWaalsContact C-N 3.31Å; V77-F79 PolarHBondContact O-N 2.96Å; V77-K81 WeakPolarHBondContact O-CB 3.45Å; V77-K81 PolarHBondContact O-N 2.91Å |
| 78 | S | 70 | Confident | 67 | Low | 41 Ų | 41 | 102.1 Ų | 102.1 | 29% | 0.287 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.4 | -40.7 | 174.7 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | Y74 L75 C76 T82 | Y74-S78 VanDerWaalsContact O-CB 3.28Å; Y74-S78 WeakPolarHBondContact O-CB 3.49Å; Y74-S78 PolarHBondContact O-N 3.07Å; Y74-S78 PolarHBondContact O-OG 3.06Å; L75-S78 PolarHBondContact O-N 3.11Å; C76-S78 VanDerWaalsContact C-N 3.32Å; C76-S78 PolarHBondContact O-N 2.64Å; S78-T82 WeakPolarHBondContact O-CG2 3.4Å; S78-T82 PolarHBondContact O-N 2.98Å; S78-T82 PolarHBondContact O-OG1 3.49Å |
| 79 | F | 69.5 | Low | 65.6 | Low | 134 Ų | 134 | 102.2 Ų | 102.2 | 59% | 0.588 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -73 | -42.9 | 178.9 | -164.2 | -107.4 | 0 | 0 | 0 | 112.7 | L75 C76 V77 K81 T82 I83 | L75-F79 VanDerWaalsContact O-CB 3.31Å; L75-F79 WeakPolarHBondContact O-CB 3.29Å; L75-F79 PolarHBondContact O-N 3.46Å; C76-F79 PolarHBondContact O-N 2.89Å; V77-F79 VanDerWaalsContact C-N 3.31Å; V77-F79 PolarHBondContact O-N 2.96Å; F79-K81 VanDerWaalsContact C-N 3.3Å; F79-K81 PolarHBondContact O-N 3.45Å; F79-T82 WeakPolarHBondContact CA-OG1 3.35Å; F79-T82 WeakPolarHBondContact O-CA 3.34Å; F79-T82 PolarHBondContact O-N 2.61Å; F79-T82 PolarHBondContact O-OG1 2.89Å; F79-I83 HydrophobicContact CD1-CD1 3.59Å; F79-I83 HydrophobicContact CD1-CG1 4.38Å; F79-I83 HydrophobicContact CE1-CD1 3.17Å; F79-I83 HydrophobicContact CE1-CG1 4.22Å; F79-I83 HydrophobicContact CG-CD1 4.46Å; F79-I83 HydrophobicContact CZ-CD1 3.72Å; F79-I83 WeakPolarHBondContact O-CG1 3.45Å; F79-I83 PolarHBondContact O-N 3.43Å |
| 80 | L | 67.8 | Low | 64 | Low | 90 Ų | 90 | 107.8 Ų | 107.8 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.5 | -41.4 | 173.6 | -88.1 | 148.7 | 0 | 0 | 0 | 111.5 | C76 T82 I83 F84 | C76-L80 WeakPolarHBondContact O-CB 3.4Å; C76-L80 WeakPolarHBondContact O-CD1 3.42Å; C76-L80 PolarHBondContact O-N 3.28Å; L80-T82 PolarHBondContact O-N 2.96Å; L80-I83 PolarHBondContact O-N 3.3Å; L80-F84 PolarHBondContact O-N 2.9Å |
| 81 | K | 63.4 | Low | 63.1 | Low | 169 Ų | 169 | 111.7 Ų | 111.7 | 74% | 0.735 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.4 | -20.7 | 175.5 | -168.2 | 144.8 | 180 | 153.7 | 0 | 113.3 | V77 F79 | V77-K81 WeakPolarHBondContact O-CB 3.45Å; V77-K81 PolarHBondContact O-N 2.91Å; F79-K81 VanDerWaalsContact C-N 3.3Å; F79-K81 PolarHBondContact O-N 3.45Å |
| 82 | T | 59.7 | Low | 62.3 | Low | 69 Ų | 69 | 110.2 Ų | 110.2 | 42% | 0.423 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -85.9 | -25.7 | 170.6 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | S78 F79 L80 | S78-T82 WeakPolarHBondContact O-CG2 3.4Å; S78-T82 PolarHBondContact O-N 2.98Å; S78-T82 PolarHBondContact O-OG1 3.49Å; F79-T82 WeakPolarHBondContact CA-OG1 3.35Å; F79-T82 WeakPolarHBondContact O-CA 3.34Å; F79-T82 PolarHBondContact O-N 2.61Å; F79-T82 PolarHBondContact O-OG1 2.89Å; L80-T82 PolarHBondContact O-N 2.96Å |
| 83 | I | 61.6 | Low | 61.2 | Low | 98 Ų | 98 | 109.9 Ų | 109.9 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -88.5 | -33.9 | -178.6 | -69.4 | -176.5 | 0 | 0 | 0 | 112.3 | F79 L80 P85 | F79-I83 HydrophobicContact CD1-CD1 3.59Å; F79-I83 HydrophobicContact CD1-CG1 4.38Å; F79-I83 HydrophobicContact CE1-CD1 3.17Å; F79-I83 HydrophobicContact CE1-CG1 4.22Å; F79-I83 HydrophobicContact CG-CD1 4.46Å; F79-I83 HydrophobicContact CZ-CD1 3.72Å; F79-I83 WeakPolarHBondContact O-CG1 3.45Å; F79-I83 PolarHBondContact O-N 3.43Å; L80-I83 PolarHBondContact O-N 3.3Å; I83-P85 VanDerWaalsContact C-CD 3.47Å; I83-P85 WeakPolarHBondContact O-CD 3.37Å |
| 84 | F | 48.7 | Very low | 60.4 | Low | 160 Ų | 160 | 112.7 Ų | 112.7 | 70% | 0.702 | 62% | 0.621 | S | S | * | * | trans | -109.5 | 85.6 | 175.4 | -79 | -85.9 | 0 | 0 | 0 | 110.9 | L80 S86 | L80-F84 PolarHBondContact O-N 2.9Å; F84-S86 PolarHBondContact O-N 2.86Å; F84-S86 VanDerWaalsContact O-N 3.14Å | ||
| 85 | P | 54.4 | Low | 59.8 | Low | 100 Ų | 100 | 111 Ų | 111 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | trans | -67.1 | 108.7 | 160.9 | 27 | -28.2 | 0 | 0 | 0 | 107.4 | I83 Q87 | I83-P85 VanDerWaalsContact C-CD 3.47Å; I83-P85 WeakPolarHBondContact O-CD 3.37Å; P85-Q87 PolarHBondContact O-N 3.01Å | ||
| 86 | S | 49.9 | Very low | 59.1 | Low | 108 Ų | 108 | 111.4 Ų | 111.4 | 76% | 0.755 | 63% | 0.628 | S | S | * | * | trans | -60.8 | 112.6 | 171.6 | 62.9 | 0 | 0 | 0 | 0 | 108.2 | F84 N88 | F84-S86 PolarHBondContact O-N 2.86Å; F84-S86 VanDerWaalsContact O-N 3.14Å; S86-N88 PolarHBondContact O-N 3.46Å | ||
| 87 | Q | 52.8 | Low | 58.5 | Low | 189 Ų | 189 | 114.2 Ų | 114.2 | 88% | 0.883 | 63% | 0.634 | S | S | * | * | trans | -61.7 | 100.9 | 169 | -89.4 | 175.9 | -7.5 | 0 | 0 | 108.7 | P85 | P85-Q87 PolarHBondContact O-N 3.01Š| ||
| 88 | N | 48.8 | Very low | 58.1 | Low | 154 Ų | 154 | 115.2 Ų | 115.2 | 82% | 0.824 | 63% | 0.633 | S | S | * | * | trans | -126 | 115.9 | 153.9 | -83.2 | -13.2 | 0 | 0 | 0 | 106.2 | S86 | S86-N88 PolarHBondContact O-N 3.46Š| ||
| 89 | G | 50.3 | Low | 58 | Low | 71 Ų | 71 | 122.1 Ų | 122.1 | 73% | 0.732 | 65% | 0.653 | S | S | * | * | trans | -71.3 | 145.1 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 90 | H | 44.3 | Very low | 57.7 | Low | 188 Ų | 188 | 118.1 Ų | 118.1 | 87% | 0.87 | 64% | 0.644 | S | S | * | * | 178.2 | 154.6 | 108.5 | -99.3 | -70.9 | 0 | 0 | 0 | 109.3 | G92 | H90-G92 PolarHBondContact O-N 3.5Š| |||
| 91 | D | 56.8 | Low | 57.6 | Low | 169 Ų | 169 | 123.4 Ų | 123.4 | 90% | 0.904 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -42.1 | 117.2 | -165.3 | -83.4 | -51.2 | 0 | 0 | 0 | 117.2 | ||
| 92 | G | 57 | Low | 57.6 | Low | 41 Ų | 41 | 123.7 Ų | 123.7 | 42% | 0.423 | 65% | 0.654 | S | S | . | * | trans | 176.3 | 22.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H90 T94 V96 | H90-G92 PolarHBondContact O-N 3.5Å; G92-T94 PolarHBondContact O-N 2.93Å; G92-V96 WeakPolarHBondContact O-CG2 3.29Å | ||
| 93 | S | 56.9 | Low | 57.7 | Low | 78 Ų | 78 | 123.5 Ų | 123.5 | 55% | 0.545 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -70.9 | -25.6 | -153.4 | -176.3 | 0 | 0 | 0 | 0 | 115.7 | Q97 | S93-Q97 WeakPolarHBondContact O-CB 3.25Å; S93-Q97 VanDerWaalsContact O-CG 3.26Å; S93-Q97 WeakPolarHBondContact O-CG 3.49Å; S93-Q97 PolarHBondContact O-N 3.39Å |
| 94 | T | 57.2 | Low | 57.8 | Low | 114 Ų | 114 | 122.2 Ų | 122.2 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -83.1 | -43.3 | -175.7 | 31.4 | 0 | 0 | 0 | 0 | 112.6 | G92 Q98 | G92-T94 PolarHBondContact O-N 2.93Å; T94-Q98 WeakPolarHBondContact O-CB 3.37Å; T94-Q98 PolarHBondContact O-N 3.45Å |
| 95 | D | 65.8 | Low | 58.6 | Low | 111 Ų | 111 | 122.8 Ų | 122.8 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.7 | -41.1 | 179.8 | -173.6 | 66.6 | 0 | 0 | 0 | 112 | Q98 R99 | D95-Q98 PolarHBondContact O-N 2.97Å; D95-R99 VanDerWaalsContact O-CB 3.24Å; D95-R99 WeakPolarHBondContact O-CB 3.35Å; D95-R99 PolarHBondContact O-N 2.72Å |
| 96 | V | 61.1 | Low | 58.9 | Low | 97 Ų | 97 | 127.2 Ų | 127.2 | 59% | 0.588 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.7 | -42.3 | 179.4 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | G92 R99 A100 | G92-V96 WeakPolarHBondContact O-CG2 3.29Å; V96-R99 PolarHBondContact O-N 3.44Å; V96-A100 WeakPolarHBondContact O-CB 3.36Å; V96-A100 PolarHBondContact O-N 3.21Å |
| 97 | Q | 59.9 | Low | 59.4 | Low | 126 Ų | 126 | 129 Ų | 129 | 59% | 0.589 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.7 | -39.1 | 174.8 | -76.9 | -165.3 | -3.6 | 0 | 0 | 111.7 | S93 A100 R101 | S93-Q97 WeakPolarHBondContact O-CB 3.25Å; S93-Q97 VanDerWaalsContact O-CG 3.26Å; S93-Q97 WeakPolarHBondContact O-CG 3.49Å; S93-Q97 PolarHBondContact O-N 3.39Å; Q97-A100 PolarHBondContact O-N 2.98Å; Q97-R101 VanDerWaalsContact O-CB 3.29Å; Q97-R101 WeakPolarHBondContact O-CB 3.29Å; Q97-R101 PolarHBondContact O-N 3.25Å |
| 98 | Q | 64.1 | Low | 59.8 | Low | 112 Ų | 112 | 126.6 Ų | 126.6 | 52% | 0.523 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69.6 | -34.7 | 178.1 | -164.4 | 160.2 | -8 | 0 | 0 | 112 | T94 D95 R101 R102 | T94-Q98 WeakPolarHBondContact O-CB 3.37Å; T94-Q98 PolarHBondContact O-N 3.45Å; D95-Q98 PolarHBondContact O-N 2.97Å; Q98-R101 PolarHBondContact O-N 3.01Å; Q98-R102 WeakPolarHBondContact O-CB 3.41Å; Q98-R102 WeakPolarHBondContact O-CG 3.27Å; Q98-R102 PolarHBondContact O-N 2.93Å |
| 99 | R | 68.6 | Low | 60.6 | Low | 187 Ų | 187 | 123.7 Ų | 123.7 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.6 | -41.9 | 172.5 | -163.6 | 173.4 | -163.2 | -169.1 | 4.8 | 112.2 | D95 V96 R102 S103 | D95-R99 VanDerWaalsContact O-CB 3.24Å; D95-R99 WeakPolarHBondContact O-CB 3.35Å; D95-R99 PolarHBondContact O-N 2.72Å; V96-R99 PolarHBondContact O-N 3.44Å; R99-R102 PolarHBondContact O-N 2.87Å; R99-S103 WeakPolarHBondContact O-CB 3.17Å; R99-S103 PolarHBondContact O-N 3.44Å |
| 100 | A | 62.9 | Low | 61.5 | Low | 49 Ų | 49 | 121.9 Ų | 121.9 | 41% | 0.405 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.7 | -40.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V96 Q97 S103 N104 | V96-A100 WeakPolarHBondContact O-CB 3.36Å; V96-A100 PolarHBondContact O-N 3.21Å; Q97-A100 PolarHBondContact O-N 2.98Å; A100-S103 PolarHBondContact O-N 3.44Å; A100-N104 WeakPolarHBondContact O-CB 3.42Å; A100-N104 PolarHBondContact O-N 3.45Å |
| 101 | R | 65.4 | Low | 62.8 | Low | 201 Ų | 201 | 117.1 Ų | 117.1 | 76% | 0.758 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.9 | -42.6 | 176.8 | -149.6 | 175.3 | -165.9 | 145.7 | 0.9 | 112.1 | Q97 Q98 S103 R105 | Q97-R101 VanDerWaalsContact O-CB 3.29Å; Q97-R101 WeakPolarHBondContact O-CB 3.29Å; Q97-R101 PolarHBondContact O-N 3.25Å; Q98-R101 PolarHBondContact O-N 3.01Å; R101-S103 VanDerWaalsContact C-N 3.35Å; R101-R105 PolarHBondContact O-N 2.85Å; R101-R105 VanDerWaalsContact O-N 3.07Å |
| 102 | R | 62.8 | Low | 63.5 | Low | 175 Ų | 175 | 115.2 Ų | 115.2 | 66% | 0.66 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.4 | -39.1 | 172.8 | -80.4 | -179 | 174.3 | 178.2 | -0.2 | 112 | Q98 R99 R106 | Q98-R102 WeakPolarHBondContact O-CB 3.41Å; Q98-R102 WeakPolarHBondContact O-CG 3.27Å; Q98-R102 PolarHBondContact O-N 2.93Å; R99-R102 PolarHBondContact O-N 2.87Å; R102-R106 PolarHBondContact O-N 3.41Å |
| 103 | S | 61.7 | Low | 64.3 | Low | 66 Ų | 66 | 118 Ų | 118 | 46% | 0.462 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.9 | -44 | 177.5 | -171 | 0 | 0 | 0 | 0 | 112.5 | R99 A100 R101 R105 R106 R107 | R99-S103 WeakPolarHBondContact O-CB 3.17Å; R99-S103 PolarHBondContact O-N 3.44Å; A100-S103 PolarHBondContact O-N 3.44Å; R101-S103 VanDerWaalsContact C-N 3.35Å; S103-R105 VanDerWaalsContact C-N 3.35Å; S103-R105 PolarHBondContact O-N 2.85Å; S103-R106 PolarHBondContact O-N 3.08Å; S103-R107 PolarHBondContact O-N 3.5Å |
| 104 | N | 64.9 | Low | 65.1 | Low | 70 Ų | 70 | 118.3 Ų | 118.3 | 37% | 0.374 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -36.4 | 177.2 | -89.2 | -20.6 | 0 | 0 | 0 | 112.9 | A100 R107 Q108 | A100-N104 WeakPolarHBondContact O-CB 3.42Å; A100-N104 PolarHBondContact O-N 3.45Å; N104-R107 PolarHBondContact O-N 2.76Å; N104-Q108 WeakPolarHBondContact O-CB 3.25Å; N104-Q108 WeakPolarHBondContact O-CG 3.39Å; N104-Q108 PolarHBondContact O-N 2.82Å |
| 105 | R | 64.3 | Low | 65.8 | Low | 172 Ų | 172 | 117.9 Ų | 117.9 | 65% | 0.649 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.8 | -46.2 | 174.1 | -174.6 | 172.3 | 176.4 | 167.8 | 2.8 | 111.9 | R101 S103 R107 Q108 E109 | R101-R105 PolarHBondContact O-N 2.85Å; R101-R105 VanDerWaalsContact O-N 3.07Å; S103-R105 VanDerWaalsContact C-N 3.35Å; S103-R105 PolarHBondContact O-N 2.85Å; R105-R107 VanDerWaalsContact C-N 3.35Å; R105-R107 PolarHBondContact O-N 2.9Å; R105-Q108 PolarHBondContact O-N 3.36Å; R105-E109 WeakPolarHBondContact CG-OE1 3.5Å; R105-E109 IonicContact NE-OE1 3.53Å; R105-E109 WeakPolarHBondContact O-CG 3.28Å; R105-E109 PolarHBondContact O-N 3.44Å |
| 106 | R | 61.2 | Low | 66.4 | Low | 193 Ų | 193 | 117.6 Ų | 117.6 | 73% | 0.728 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.9 | -37.2 | 175.7 | -69.8 | -175.8 | -178.2 | -172.6 | 0.4 | 112.6 | R102 S103 E109 G110 | R102-R106 PolarHBondContact O-N 3.41Å; S103-R106 PolarHBondContact O-N 3.08Å; R106-E109 PolarHBondContact O-N 3.25Å; R106-G110 PolarHBondContact O-N 2.92Å |
| 107 | R | 60.5 | Low | 67.2 | Low | 146 Ų | 146 | 118 Ų | 118 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.1 | -41 | 174.2 | -91.6 | -170.8 | 171.3 | -154 | -1.6 | 112.6 | S103 N104 R105 E109 G110 I111 | S103-R107 PolarHBondContact O-N 3.5Å; N104-R107 PolarHBondContact O-N 2.76Å; R105-R107 VanDerWaalsContact C-N 3.35Å; R105-R107 PolarHBondContact O-N 2.9Å; R107-E109 VanDerWaalsContact C-N 3.31Å; R107-G110 PolarHBondContact O-N 3.08Å; R107-I111 WeakPolarHBondContact O-CG1 3.32Å; R107-I111 PolarHBondContact O-N 2.8Å |
| 108 | Q | 60.3 | Low | 68.1 | Low | 139 Ų | 139 | 116.9 Ų | 116.9 | 65% | 0.65 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.5 | -38.7 | 174.7 | -80.6 | -179.6 | -11.9 | 0 | 0 | 111.6 | N104 R105 I111 K112 | N104-Q108 WeakPolarHBondContact O-CB 3.25Å; N104-Q108 WeakPolarHBondContact O-CG 3.39Å; N104-Q108 PolarHBondContact O-N 2.82Å; R105-Q108 PolarHBondContact O-N 3.36Å; Q108-I111 PolarHBondContact O-N 3.26Å; Q108-K112 VanDerWaalsContact O-CB 3.31Å; Q108-K112 WeakPolarHBondContact O-CB 3.46Å; Q108-K112 PolarHBondContact O-N 3.27Å |
| 109 | E | 67.1 | Low | 68.8 | Low | 93 Ų | 93 | 117.5 Ų | 117.5 | 44% | 0.435 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 173.2 | -72 | 162.9 | -173.5 | 0 | 0 | 111.3 | R105 R106 R107 K112 I113 | R105-E109 WeakPolarHBondContact CG-OE1 3.5Å; R105-E109 IonicContact NE-OE1 3.53Å; R105-E109 WeakPolarHBondContact O-CG 3.28Å; R105-E109 PolarHBondContact O-N 3.44Å; R106-E109 PolarHBondContact O-N 3.25Å; R107-E109 VanDerWaalsContact C-N 3.31Å; E109-K112 WeakPolarHBondContact O-CB 3.24Å; E109-K112 PolarHBondContact O-N 2.81Å; E109-I113 WeakPolarHBondContact O-CD1 3.49Å; E109-I113 VanDerWaalsContact O-CG1 3.29Å; E109-I113 WeakPolarHBondContact O-CG1 3.42Å; E109-I113 PolarHBondContact O-N 3.45Å |
| 110 | G | 68.5 | Low | 69.6 | Low | 33 Ų | 33 | 112 Ų | 112 | 34% | 0.34 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R106 R107 K112 I113 V114 | R106-G110 PolarHBondContact O-N 2.92Å; R107-G110 PolarHBondContact O-N 3.08Å; G110-K112 VanDerWaalsContact C-N 3.35Å; G110-I113 PolarHBondContact O-N 2.81Å; G110-V114 WeakPolarHBondContact O-CG2 3.43Å; G110-V114 PolarHBondContact O-N 2.82Å; G110-V114 VanDerWaalsContact O-N 3.1Å |
| 111 | I | 70.9 | Confident | 70.4 | Confident | 88 Ų | 88 | 115.1 Ų | 115.1 | 45% | 0.451 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 176.1 | -71.6 | 166.2 | 0 | 0 | 0 | 110.9 | R107 Q108 V114 L115 | R107-I111 WeakPolarHBondContact O-CG1 3.32Å; R107-I111 PolarHBondContact O-N 2.8Å; Q108-I111 PolarHBondContact O-N 3.26Å; I111-V114 PolarHBondContact O-N 2.91Å; I111-L115 HydrophobicContact CG2-CD1 3.69Å; I111-L115 WeakPolarHBondContact O-CB 3.26Å; I111-L115 WeakPolarHBondContact O-CD1 3.3Å; I111-L115 PolarHBondContact O-N 3.4Å |
| 112 | K | 72.5 | Confident | 71.3 | Confident | 129 Ų | 129 | 113 Ų | 113 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.6 | -45.1 | 176.6 | -172.6 | -175.6 | 176 | -166.2 | 0 | 111.6 | Q108 E109 G110 L115 E116 | Q108-K112 VanDerWaalsContact O-CB 3.31Å; Q108-K112 WeakPolarHBondContact O-CB 3.46Å; Q108-K112 PolarHBondContact O-N 3.27Å; E109-K112 WeakPolarHBondContact O-CB 3.24Å; E109-K112 PolarHBondContact O-N 2.81Å; G110-K112 VanDerWaalsContact C-N 3.35Å; K112-L115 PolarHBondContact O-N 3.03Å; K112-E116 WeakPolarHBondContact CE-OE1 3.42Å; K112-E116 IonicContact NZ-OE1 3.96Å; K112-E116 WeakPolarHBondContact O-CG 3.4Å; K112-E116 PolarHBondContact O-N 2.83Å |
| 113 | I | 73.9 | Confident | 72.2 | Confident | 99 Ų | 99 | 112.1 Ų | 112.1 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 177.4 | -66.5 | 162.4 | 0 | 0 | 0 | 110.5 | E109 G110 L115 E116 D117 | E109-I113 WeakPolarHBondContact O-CD1 3.49Å; E109-I113 VanDerWaalsContact O-CG1 3.29Å; E109-I113 WeakPolarHBondContact O-CG1 3.42Å; E109-I113 PolarHBondContact O-N 3.45Å; G110-I113 PolarHBondContact O-N 2.81Å; I113-L115 VanDerWaalsContact C-N 3.29Å; I113-L115 PolarHBondContact O-N 3.44Å; I113-E116 PolarHBondContact O-N 3.22Å; I113-D117 PolarHBondContact O-N 2.83Å |
| 114 | V | 72.4 | Confident | 73.1 | Confident | 84 Ų | 84 | 114.3 Ų | 114.3 | 51% | 0.509 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 178.1 | 173 | 0 | 0 | 0 | 0 | 111.6 | G110 I111 I118 | G110-V114 WeakPolarHBondContact O-CG2 3.43Å; G110-V114 PolarHBondContact O-N 2.82Å; G110-V114 VanDerWaalsContact O-N 3.1Å; I111-V114 PolarHBondContact O-N 2.91Å; V114-I118 HydrophobicContact CG1-CD1 3.84Å; V114-I118 WeakPolarHBondContact O-CD1 3.18Å; V114-I118 WeakPolarHBondContact O-CG1 3.35Å; V114-I118 PolarHBondContact O-N 3.26Å |
| 115 | L | 72 | Confident | 74 | Confident | 106 Ų | 106 | 114.9 Ų | 114.9 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.6 | -40.6 | 175.7 | -93.1 | 148.9 | 0 | 0 | 0 | 112.9 | I111 K112 I113 I118 F119 | I111-L115 HydrophobicContact CG2-CD1 3.69Å; I111-L115 WeakPolarHBondContact O-CB 3.26Å; I111-L115 WeakPolarHBondContact O-CD1 3.3Å; I111-L115 PolarHBondContact O-N 3.4Å; K112-L115 PolarHBondContact O-N 3.03Å; I113-L115 VanDerWaalsContact C-N 3.29Å; I113-L115 PolarHBondContact O-N 3.44Å; L115-I118 PolarHBondContact O-N 2.81Å; L115-F119 WeakPolarHBondContact O-CB 3.41Å; L115-F119 PolarHBondContact O-N 2.78Å |
| 116 | E | 79.4 | Confident | 74.7 | Confident | 104 Ų | 104 | 109.4 Ų | 109.4 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 175.5 | -75 | -179.3 | -177.5 | 0 | 0 | 111.3 | K112 I113 F119 T120 | K112-E116 WeakPolarHBondContact CE-OE1 3.42Å; K112-E116 IonicContact NZ-OE1 3.96Å; K112-E116 WeakPolarHBondContact O-CG 3.4Å; K112-E116 PolarHBondContact O-N 2.83Å; I113-E116 PolarHBondContact O-N 3.22Å; E116-F119 PolarHBondContact O-N 3.3Å; E116-T120 WeakPolarHBondContact O-CB 3.31Å; E116-T120 VanDerWaalsContact O-CG2 3.27Å; E116-T120 WeakPolarHBondContact O-CG2 3.24Å; E116-T120 PolarHBondContact O-N 2.99Å; E116-T120 PolarHBondContact O-OG1 2.85Å |
| 117 | D | 77.2 | Confident | 75.8 | Confident | 105 Ų | 105 | 103.7 Ų | 103.7 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | 174.5 | -81.2 | -10 | 0 | 0 | 0 | 112.3 | I113 T120 L121 | I113-D117 PolarHBondContact O-N 2.83Å; D117-T120 WeakPolarHBondContact CA-OG1 3.45Å; D117-T120 PolarHBondContact O-OG1 3.48Å; D117-L121 VanDerWaalsContact O-CB 3.29Å; D117-L121 WeakPolarHBondContact O-CB 3.4Å; D117-L121 PolarHBondContact O-N 2.82Å |
| 118 | I | 79.6 | Confident | 77.1 | Confident | 103 Ų | 103 | 103.8 Ų | 103.8 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 175.5 | -69.9 | 165 | 0 | 0 | 0 | 110.8 | V114 L115 L121 W122 | V114-I118 HydrophobicContact CG1-CD1 3.84Å; V114-I118 WeakPolarHBondContact O-CD1 3.18Å; V114-I118 WeakPolarHBondContact O-CG1 3.35Å; V114-I118 PolarHBondContact O-N 3.26Å; L115-I118 PolarHBondContact O-N 2.81Å; I118-L121 PolarHBondContact O-N 2.85Å; I118-W122 WeakPolarHBondContact O-CB 3.45Å; I118-W122 PolarHBondContact O-N 3.48Å |
| 119 | F | 78.7 | Confident | 78.3 | Confident | 125 Ų | 125 | 100.7 Ų | 100.7 | 55% | 0.548 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | -179.5 | -170.9 | -100.6 | 0 | 0 | 0 | 112 | L115 E116 W122 R123 | L115-F119 WeakPolarHBondContact O-CB 3.41Å; L115-F119 PolarHBondContact O-N 2.78Å; E116-F119 PolarHBondContact O-N 3.3Å; F119-W122 HydrophobicContact CE2-CE3 4.41Å; F119-W122 PolarHBondContact O-N 2.78Å; F119-R123 HydrophobicContact CE1-CG 4.49Å; F119-R123 WeakPolarHBondContact O-CB 3.36Å; F119-R123 PolarHBondContact O-N 3.36Å |
| 120 | T | 84.8 | Confident | 79 | Confident | 73 Ų | 73 | 102.8 Ų | 102.8 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 175.6 | 54.5 | 0 | 0 | 0 | 0 | 111.5 | E116 D117 W122 R123 Q124 | E116-T120 WeakPolarHBondContact O-CB 3.31Å; E116-T120 VanDerWaalsContact O-CG2 3.27Å; E116-T120 WeakPolarHBondContact O-CG2 3.24Å; E116-T120 PolarHBondContact O-N 2.99Å; E116-T120 PolarHBondContact O-OG1 2.85Å; D117-T120 WeakPolarHBondContact CA-OG1 3.45Å; D117-T120 PolarHBondContact O-OG1 3.48Å; T120-W122 VanDerWaalsContact C-N 3.34Å; T120-W122 PolarHBondContact O-N 2.9Å; T120-R123 WeakPolarHBondContact O-CB 3.4Å; T120-R123 PolarHBondContact O-N 2.89Å; T120-Q124 WeakPolarHBondContact O-CG 3.28Å; T120-Q124 PolarHBondContact O-N 3.15Å |
| 121 | L | 80.9 | Confident | 79.7 | Confident | 113 Ų | 113 | 103.4 Ų | 103.4 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61 | -42.9 | 175 | -163 | 78.5 | 0 | 0 | 0 | 111.5 | D117 I118 Q124 V125 | D117-L121 VanDerWaalsContact O-CB 3.29Å; D117-L121 WeakPolarHBondContact O-CB 3.4Å; D117-L121 PolarHBondContact O-N 2.82Å; I118-L121 PolarHBondContact O-N 2.85Å; L121-Q124 PolarHBondContact O-N 3.32Å; L121-V125 WeakPolarHBondContact O-CG2 3.19Å; L121-V125 PolarHBondContact O-N 3.4Å |
| 122 | W | 82.9 | Confident | 80.2 | Confident | 158 Ų | 158 | 107 Ų | 107 | 60% | 0.598 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 176.7 | -172.6 | 70 | 0 | 0 | 0 | 111.9 | I118 F119 T120 Q124 V125 E126 | I118-W122 WeakPolarHBondContact O-CB 3.45Å; I118-W122 PolarHBondContact O-N 3.48Å; F119-W122 HydrophobicContact CE2-CE3 4.41Å; F119-W122 PolarHBondContact O-N 2.78Å; T120-W122 VanDerWaalsContact C-N 3.34Å; T120-W122 PolarHBondContact O-N 2.9Å; W122-Q124 VanDerWaalsContact C-N 3.33Å; W122-Q124 PolarHBondContact O-N 3.16Å; W122-V125 PolarHBondContact O-N 2.87Å; W122-E126 WeakPolarHBondContact O-CB 3.29Å; W122-E126 PolarHBondContact O-N 2.87Å |
| 123 | R | 81.5 | Confident | 80.6 | Confident | 155 Ų | 155 | 105.6 Ų | 105.6 | 59% | 0.585 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.3 | -40.8 | 173.6 | -108 | -110.6 | -179.3 | -169.8 | 1.8 | 112.7 | F119 T120 E126 T127 | F119-R123 HydrophobicContact CE1-CG 4.49Å; F119-R123 WeakPolarHBondContact O-CB 3.36Å; F119-R123 PolarHBondContact O-N 3.36Å; T120-R123 WeakPolarHBondContact O-CB 3.4Å; T120-R123 PolarHBondContact O-N 2.89Å; R123-E126 PolarHBondContact O-N 2.81Å; R123-T127 WeakPolarHBondContact O-CB 3.31Å; R123-T127 VanDerWaalsContact O-CG2 3.29Å; R123-T127 WeakPolarHBondContact O-CG2 3.42Å; R123-T127 PolarHBondContact O-N 3.31Å; R123-T127 PolarHBondContact O-OG1 3.39Å |
| 124 | Q | 82.4 | Confident | 80.7 | Confident | 112 Ų | 112 | 109.3 Ų | 109.3 | 52% | 0.523 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 177.2 | -74.8 | -166.1 | 7 | 0 | 0 | 112.3 | T120 L121 W122 T127 K128 | T120-Q124 WeakPolarHBondContact O-CG 3.28Å; T120-Q124 PolarHBondContact O-N 3.15Å; L121-Q124 PolarHBondContact O-N 3.32Å; W122-Q124 VanDerWaalsContact C-N 3.33Å; W122-Q124 PolarHBondContact O-N 3.16Å; Q124-T127 WeakPolarHBondContact CA-OG1 3.43Å; Q124-T127 PolarHBondContact O-OG1 2.84Å; Q124-K128 WeakPolarHBondContact O-CB 3.47Å; Q124-K128 WeakPolarHBondContact O-CG 3.36Å; Q124-K128 PolarHBondContact O-N 3.48Å; Q124-K128 VanDerWaalsContact O-N 3.11Å |
| 125 | V | 82.7 | Confident | 80.8 | Confident | 83 Ų | 83 | 112.7 Ų | 112.7 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | L121 W122 T127 K128 V129 | L121-V125 WeakPolarHBondContact O-CG2 3.19Å; L121-V125 PolarHBondContact O-N 3.4Å; W122-V125 PolarHBondContact O-N 2.87Å; V125-T127 PolarHBondContact O-N 3.03Å; V125-K128 PolarHBondContact O-N 3.42Å; V125-V129 HydrophobicContact CG1-CG2 4.27Å; V125-V129 VanDerWaalsContact O-CG2 3.3Å; V125-V129 WeakPolarHBondContact O-CG2 3.33Å; V125-V129 PolarHBondContact O-N 3.41Å |
| 126 | E | 78.8 | Confident | 80.8 | Confident | 57 Ų | 57 | 114 Ų | 114 | 27% | 0.266 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | -179.3 | -163.1 | -170.7 | 173.6 | 0 | 0 | 112.1 | W122 R123 V129 R130 | W122-E126 WeakPolarHBondContact O-CB 3.29Å; W122-E126 PolarHBondContact O-N 2.87Å; R123-E126 PolarHBondContact O-N 2.81Å; E126-V129 PolarHBondContact O-N 2.84Å; E126-R130 WeakPolarHBondContact O-CB 3.28Å; E126-R130 VanDerWaalsContact O-CG 3.28Å; E126-R130 WeakPolarHBondContact O-CG 3.36Å; E126-R130 PolarHBondContact O-N 3.4Å; E126-R130 IonicContact OE1-CZ 3.2Å; E126-R130 IonicContact OE1-NE 3.05Å; E126-R130 PolarHBondContact OE1-NE 2.96Å; E126-R130 IonicContact OE1-NH2 2.65Å; E126-R130 PolarHBondContact OE1-NH2 3.43Å |
| 127 | T | 85.6 | Confident | 80.2 | Confident | 73 Ų | 73 | 116.5 Ų | 116.5 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 176.3 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | R123 Q124 V125 R130 A131 | R123-T127 WeakPolarHBondContact O-CB 3.31Å; R123-T127 VanDerWaalsContact O-CG2 3.29Å; R123-T127 WeakPolarHBondContact O-CG2 3.42Å; R123-T127 PolarHBondContact O-N 3.31Å; R123-T127 PolarHBondContact O-OG1 3.39Å; Q124-T127 WeakPolarHBondContact CA-OG1 3.43Å; Q124-T127 PolarHBondContact O-OG1 2.84Å; V125-T127 PolarHBondContact O-N 3.03Å; T127-R130 PolarHBondContact O-N 2.85Å; T127-A131 WeakPolarHBondContact O-CB 3.49Å; T127-A131 PolarHBondContact O-N 3.48Å |
| 128 | K | 86.1 | Confident | 79.3 | Confident | 147 Ų | 147 | 115.8 Ų | 115.8 | 64% | 0.639 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 174.1 | -76.7 | 179.5 | 179.3 | 175.2 | 0 | 112.2 | Q124 V125 A131 K132 | Q124-K128 WeakPolarHBondContact O-CB 3.47Å; Q124-K128 WeakPolarHBondContact O-CG 3.36Å; Q124-K128 PolarHBondContact O-N 3.48Å; Q124-K128 VanDerWaalsContact O-N 3.11Å; V125-K128 PolarHBondContact O-N 3.42Å; K128-A131 PolarHBondContact O-N 2.95Å; K128-K132 PolarHBondContact O-N 3.22Å |
| 129 | V | 87.1 | Confident | 78.2 | Confident | 74 Ų | 74 | 115.3 Ų | 115.3 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.3 | -47.1 | 177.3 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | V125 E126 A131 K132 I133 | V125-V129 HydrophobicContact CG1-CG2 4.27Å; V125-V129 VanDerWaalsContact O-CG2 3.3Å; V125-V129 WeakPolarHBondContact O-CG2 3.33Å; V125-V129 PolarHBondContact O-N 3.41Å; E126-V129 PolarHBondContact O-N 2.84Å; V129-A131 VanDerWaalsContact C-N 3.31Å; V129-A131 PolarHBondContact O-N 3.36Å; V129-K132 WeakPolarHBondContact O-CB 3.49Å; V129-K132 PolarHBondContact O-N 2.89Å; V129-K132 VanDerWaalsContact O-N 3.15Å; V129-I133 HydrophobicContact CG1-CD1 3.75Å; V129-I133 HydrophobicContact CG1-CG1 4.36Å; V129-I133 WeakPolarHBondContact O-CG1 3.41Å; V129-I133 PolarHBondContact O-N 3.38Å |
| 130 | R | 80.8 | Confident | 77.2 | Confident | 138 Ų | 138 | 114.4 Ų | 114.4 | 52% | 0.521 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.7 | -40.8 | 175.8 | -74.3 | 176.4 | -178.7 | -140.8 | 3.2 | 111.8 | E126 T127 I133 R134 | E126-R130 WeakPolarHBondContact O-CB 3.28Å; E126-R130 VanDerWaalsContact O-CG 3.28Å; E126-R130 WeakPolarHBondContact O-CG 3.36Å; E126-R130 PolarHBondContact O-N 3.4Å; E126-R130 IonicContact OE1-CZ 3.2Å; E126-R130 IonicContact OE1-NE 3.05Å; E126-R130 PolarHBondContact OE1-NE 2.96Å; E126-R130 IonicContact OE1-NH2 2.65Å; E126-R130 PolarHBondContact OE1-NH2 3.43Å; T127-R130 PolarHBondContact O-N 2.85Å; R130-I133 PolarHBondContact O-N 2.84Å; R130-R134 WeakPolarHBondContact O-CB 3.34Å; R130-R134 VanDerWaalsContact O-CG 3.31Å; R130-R134 WeakPolarHBondContact O-CG 3.14Å; R130-R134 PolarHBondContact O-N 3.04Å |
| 131 | A | 83 | Confident | 75.8 | Confident | 45 Ų | 45 | 119.7 Ų | 119.7 | 37% | 0.372 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.3 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T127 K128 V129 R134 K135 | T127-A131 WeakPolarHBondContact O-CB 3.49Å; T127-A131 PolarHBondContact O-N 3.48Å; K128-A131 PolarHBondContact O-N 2.95Å; V129-A131 VanDerWaalsContact C-N 3.31Å; V129-A131 PolarHBondContact O-N 3.36Å; A131-R134 PolarHBondContact O-N 2.84Å; A131-K135 WeakPolarHBondContact O-CB 3.5Å; A131-K135 WeakPolarHBondContact O-CG 3.35Å; A131-K135 PolarHBondContact O-N 2.93Å |
| 132 | K | 82.1 | Confident | 74.6 | Confident | 163 Ų | 163 | 119.8 Ų | 119.8 | 71% | 0.709 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.2 | -44.5 | 173.5 | -113.2 | 175.9 | 177.3 | 178.3 | 0 | 112.2 | K128 V129 K135 M136 | K128-K132 PolarHBondContact O-N 3.22Å; V129-K132 WeakPolarHBondContact O-CB 3.49Å; V129-K132 PolarHBondContact O-N 2.89Å; V129-K132 VanDerWaalsContact O-N 3.15Å; K132-K135 PolarHBondContact O-N 3.41Å; K132-M136 WeakPolarHBondContact O-CB 3.33Å; K132-M136 PolarHBondContact O-N 2.78Å |
| 133 | I | 81 | Confident | 73.1 | Confident | 101 Ų | 101 | 118 Ų | 118 | 52% | 0.518 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.1 | -43.6 | 176.6 | -68.3 | 167.9 | 0 | 0 | 0 | 110.7 | V129 R130 M136 K137 | V129-I133 HydrophobicContact CG1-CD1 3.75Å; V129-I133 HydrophobicContact CG1-CG1 4.36Å; V129-I133 WeakPolarHBondContact O-CG1 3.41Å; V129-I133 PolarHBondContact O-N 3.38Å; R130-I133 PolarHBondContact O-N 2.84Å; I133-M136 PolarHBondContact O-N 3.19Å; I133-K137 VanDerWaalsContact O-CB 3.24Å; I133-K137 WeakPolarHBondContact O-CB 3.33Å; I133-K137 PolarHBondContact O-N 3.24Å |
| 134 | R | 76.3 | Confident | 71.9 | Confident | 177 Ų | 177 | 122.1 Ų | 122.1 | 67% | 0.668 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63 | -45.2 | 176.1 | -75.2 | 177 | -177.5 | -174.8 | -0.3 | 111.5 | R130 A131 K137 V138 | R130-R134 WeakPolarHBondContact O-CB 3.34Å; R130-R134 VanDerWaalsContact O-CG 3.31Å; R130-R134 WeakPolarHBondContact O-CG 3.14Å; R130-R134 PolarHBondContact O-N 3.04Å; A131-R134 PolarHBondContact O-N 2.84Å; R134-K137 PolarHBondContact O-N 2.93Å; R134-V138 WeakPolarHBondContact O-CB 3.49Å; R134-V138 VanDerWaalsContact O-CG2 3.24Å; R134-V138 WeakPolarHBondContact O-CG2 3.33Å; R134-V138 PolarHBondContact O-N 3.47Å |
| 135 | K | 74.6 | Confident | 70.7 | Confident | 154 Ų | 154 | 124 Ų | 124 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.7 | -48.4 | 174.9 | -76.2 | -179.6 | 177.9 | -172 | 0 | 111.2 | A131 K132 K137 V138 T139 | A131-K135 WeakPolarHBondContact O-CB 3.5Å; A131-K135 WeakPolarHBondContact O-CG 3.35Å; A131-K135 PolarHBondContact O-N 2.93Å; K132-K135 PolarHBondContact O-N 3.41Å; K135-K137 VanDerWaalsContact C-N 3.35Å; K135-K137 PolarHBondContact O-N 3.46Å; K135-V138 PolarHBondContact O-N 3.17Å; K135-T139 WeakPolarHBondContact O-CG2 3.41Å; K135-T139 PolarHBondContact O-N 2.72Å; K135-T139 PolarHBondContact O-OG1 3.44Å |
| 136 | M | 71.3 | Confident | 69.3 | Low | 133 Ų | 133 | 126 Ų | 126 | 66% | 0.655 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60.3 | -43.8 | 176.7 | -164.8 | 129.5 | 89.2 | 0 | 0 | 111.6 | K132 I133 V138 T139 T140 | K132-M136 WeakPolarHBondContact O-CB 3.33Å; K132-M136 PolarHBondContact O-N 2.78Å; I133-M136 PolarHBondContact O-N 3.19Å; M136-V138 PolarHBondContact O-N 2.89Å; M136-T139 VanDerWaalsContact CA-OG1 3.29Å; M136-T139 WeakPolarHBondContact CA-OG1 3.48Å; M136-T139 PolarHBondContact O-N 2.65Å; M136-T139 PolarHBondContact O-OG1 2.92Å; M136-T140 WeakPolarHBondContact O-CB 3.27Å; M136-T140 PolarHBondContact O-N 3.25Å; M136-T140 PolarHBondContact O-OG1 3.4Å |
| 137 | K | 66.1 | Low | 68.2 | Low | 157 Ų | 157 | 131.1 Ų | 131.1 | 68% | 0.683 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.6 | -38.3 | 176.7 | -170.4 | 176 | -176.9 | 178.1 | 0 | 112.4 | I133 R134 K135 K141 | I133-K137 VanDerWaalsContact O-CB 3.24Å; I133-K137 WeakPolarHBondContact O-CB 3.33Å; I133-K137 PolarHBondContact O-N 3.24Å; R134-K137 PolarHBondContact O-N 2.93Å; K135-K137 VanDerWaalsContact C-N 3.35Å; K135-K137 PolarHBondContact O-N 3.46Å; K137-K141 WeakPolarHBondContact O-CB 3.38Å; K137-K141 PolarHBondContact O-N 3.4Å |
| 138 | V | 59.9 | Low | 66.9 | Low | 91 Ų | 91 | 135 Ų | 135 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.5 | -44.2 | 175.7 | 169 | 0 | 0 | 0 | 0 | 110.7 | R134 K135 M136 T140 K141 V142 | R134-V138 WeakPolarHBondContact O-CB 3.49Å; R134-V138 VanDerWaalsContact O-CG2 3.24Å; R134-V138 WeakPolarHBondContact O-CG2 3.33Å; R134-V138 PolarHBondContact O-N 3.47Å; K135-V138 PolarHBondContact O-N 3.17Å; M136-V138 PolarHBondContact O-N 2.89Å; V138-T140 VanDerWaalsContact C-N 3.32Å; V138-T140 PolarHBondContact O-N 3.02Å; V138-K141 WeakPolarHBondContact O-CA 3.46Å; V138-K141 WeakPolarHBondContact O-CB 3.48Å; V138-K141 PolarHBondContact O-N 2.89Å; V138-V142 WeakPolarHBondContact O-CG2 3.45Å; V138-V142 PolarHBondContact O-N 3.4Å |
| 139 | T | 56.4 | Low | 65.4 | Low | 93 Ų | 93 | 134.2 Ų | 134.2 | 57% | 0.571 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.8 | -34.8 | 175.1 | 52.4 | 0 | 0 | 0 | 0 | 112 | K135 M136 K141 V142 | K135-T139 WeakPolarHBondContact O-CG2 3.41Å; K135-T139 PolarHBondContact O-N 2.72Å; K135-T139 PolarHBondContact O-OG1 3.44Å; M136-T139 VanDerWaalsContact CA-OG1 3.29Å; M136-T139 WeakPolarHBondContact CA-OG1 3.48Å; M136-T139 PolarHBondContact O-N 2.65Å; M136-T139 PolarHBondContact O-OG1 2.92Å; T139-K141 VanDerWaalsContact C-N 3.28Å; T139-K141 PolarHBondContact O-N 3.46Å; T139-V142 PolarHBondContact O-N 3.05Å |
| 140 | T | 57 | Low | 63.6 | Low | 105 Ų | 105 | 134.3 Ų | 134.3 | 64% | 0.644 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -69.3 | -26.8 | 171.4 | -55.1 | 0 | 0 | 0 | 0 | 112 | M136 V138 | M136-T140 WeakPolarHBondContact O-CB 3.27Å; M136-T140 PolarHBondContact O-N 3.25Å; M136-T140 PolarHBondContact O-OG1 3.4Å; V138-T140 VanDerWaalsContact C-N 3.32Å; V138-T140 PolarHBondContact O-N 3.02Å |
| 141 | K | 54.6 | Low | 62.5 | Low | 185 Ų | 185 | 137 Ų | 137 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -77.5 | -20.2 | 177.5 | -133.9 | -172.8 | 178.9 | -166.9 | 0 | 113.5 | K137 V138 T139 | K137-K141 WeakPolarHBondContact O-CB 3.38Å; K137-K141 PolarHBondContact O-N 3.4Å; V138-K141 WeakPolarHBondContact O-CA 3.46Å; V138-K141 WeakPolarHBondContact O-CB 3.48Å; V138-K141 PolarHBondContact O-N 2.89Å; T139-K141 VanDerWaalsContact C-N 3.28Å; T139-K141 PolarHBondContact O-N 3.46Å |
| 142 | V | 55.6 | Low | 61.4 | Low | 115 Ų | 115 | 146.3 Ų | 146.3 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -96.2 | -2.7 | -173.6 | 172.6 | 0 | 0 | 0 | 0 | 114 | V138 T139 | V138-V142 WeakPolarHBondContact O-CG2 3.45Å; V138-V142 PolarHBondContact O-N 3.4Å; T139-V142 PolarHBondContact O-N 3.05Å |
| 143 | N | 52.8 | Low | 60.3 | Low | 119 Ų | 119 | 143.9 Ų | 143.9 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | -127.3 | 60.9 | 179.1 | -128.7 | 1.1 | 0 | 0 | 0 | 113.8 | ||||
| 144 | R | 55.9 | Low | 59.6 | Low | 242 Ų | 242 | 143.1 Ų | 143.1 | 91% | 0.913 | 70% | 0.696 | S | S | * | * | trans | -118.9 | 60.4 | 156.5 | -90.7 | -171.7 | -179.6 | 170.6 | 0.6 | 109 | ||||
| 145 | H | 57.2 | Low | 59.4 | Low | 152 Ų | 152 | 138.4 Ų | 138.4 | 70% | 0.704 | 70% | 0.695 | S | S | * | * | trans | -136.1 | 33.5 | 159.4 | -141.7 | -45.7 | 0 | 0 | 0 | 112 | K147 | H145-K147 VanDerWaalsContact C-N 3.28Å; H145-K147 PolarHBondContact O-N 3.26Å | ||
| 146 | D | 53.9 | Low | 59.4 | Low | 126 Ų | 126 | 138.8 Ų | 138.8 | 67% | 0.674 | 70% | 0.697 | S | S | * | * | trans | -64.6 | 101.2 | 155.9 | -67.7 | -25.6 | 0 | 0 | 0 | 106 | I148 | D146-I148 PolarHBondContact O-N 3.44Š| ||
| 147 | K | 55.8 | Low | 59.6 | Low | 163 Ų | 163 | 137.6 Ų | 137.6 | 71% | 0.709 | 69% | 0.689 | S | S | * | * | trans | -55.2 | 96.8 | 160 | -78 | 176 | 176.2 | 176.5 | 0 | 104.7 | H145 N149 | H145-K147 VanDerWaalsContact C-N 3.28Å; H145-K147 PolarHBondContact O-N 3.26Å; K147-N149 PolarHBondContact O-N 2.85Å | ||
| 148 | I | 57.7 | Low | 60.1 | Low | 154 Ų | 154 | 134.8 Ų | 134.8 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | trans | -64.4 | 84.7 | 166.2 | -62.8 | 172.6 | 0 | 0 | 0 | 103.6 | D146 G150 | D146-I148 PolarHBondContact O-N 3.44Å; I148-G150 PolarHBondContact O-N 3Å | ||
| 149 | N | 54.5 | Low | 61.3 | Low | 131 Ų | 131 | 134.7 Ų | 134.7 | 70% | 0.701 | 67% | 0.672 | S | S | * | * | trans | -51 | 115.6 | 165.2 | -71.2 | -15 | 0 | 0 | 0 | 104.2 | K147 K151 | K147-N149 PolarHBondContact O-N 2.85Å; N149-K151 PolarHBondContact O-N 3.5Å | ||
| 150 | G | 49.6 | Very low | 62.7 | Low | 76 Ų | 76 | 135.9 Ų | 135.9 | 78% | 0.784 | 67% | 0.673 | S | S | * | * | trans | -57 | 84.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I148 R152 | I148-G150 PolarHBondContact O-N 3Å; G150-R152 PolarHBondContact O-N 3.26Å; G150-R152 VanDerWaalsContact O-N 3.11Å | ||
| 151 | K | 57.1 | Low | 64.1 | Low | 194 Ų | 194 | 136.2 Ų | 136.2 | 84% | 0.843 | 67% | 0.666 | S | S | * | * | trans | -71.1 | 105.6 | 163.7 | -74.4 | -171.2 | 177.4 | -177 | 0 | 104.9 | N149 K153 | N149-K151 PolarHBondContact O-N 3.5Å; K151-K153 PolarHBondContact O-N 3.43Å | ||
| 152 | R | 60.5 | Low | 65.6 | Low | 241 Ų | 241 | 133.6 Ų | 133.6 | 91% | 0.909 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 119.3 | 166 | -94.1 | 179 | 173 | 165.3 | -2.2 | 106.9 | G150 T154 | G150-R152 PolarHBondContact O-N 3.26Å; G150-R152 VanDerWaalsContact O-N 3.11Å; R152-T154 PolarHBondContact O-N 3.11Å |
| 153 | K | 58.8 | Low | 67.1 | Low | 113 Ų | 113 | 135.5 Ų | 135.5 | 49% | 0.491 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 129.5 | 168.8 | -68 | 179.7 | 178.7 | -178.3 | 0 | 107 | K151 Q158 | K151-K153 PolarHBondContact O-N 3.43Å; K153-Q158 HydrophobicContact CB-CG 3.54Å; K153-Q158 HydrophobicContact CD-CG 3.85Å; K153-Q158 HydrophobicContact CG-CG 4.34Å |
| 154 | T | 66.6 | Low | 68.9 | Low | 85 Ų | 85 | 132.5 Ų | 132.5 | 52% | 0.521 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 147.4 | 171.9 | 57 | 0 | 0 | 0 | 0 | 108.2 | R152 K156 E157 Q158 | R152-T154 PolarHBondContact O-N 3.11Å; T154-K156 PolarHBondContact O-N 2.97Å; T154-E157 PolarHBondContact O-N 3.01Å; T154-Q158 PolarHBondContact O-N 3.02Å |
| 155 | A | 71.4 | Confident | 70.5 | Confident | 78 Ų | 78 | 125.1 Ų | 125.1 | 65% | 0.645 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -52.1 | -34.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q158 E159 | A155-Q158 PolarHBondContact O-N 2.91Å; A155-E159 WeakPolarHBondContact O-CB 3.49Å; A155-E159 PolarHBondContact O-N 2.88Å |
| 156 | K | 74.8 | Confident | 72 | Confident | 162 Ų | 162 | 120 Ų | 120 | 70% | 0.704 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.9 | -40.8 | 176.3 | -67.7 | -177.2 | 177.1 | 178.7 | 0 | 113.6 | T154 E159 M160 | T154-K156 PolarHBondContact O-N 2.97Å; K156-E159 PolarHBondContact O-N 2.87Å; K156-M160 WeakPolarHBondContact O-CG 3.48Å; K156-M160 PolarHBondContact O-N 2.86Å |
| 157 | E | 75.4 | Confident | 73.7 | Confident | 107 Ų | 107 | 119.2 Ų | 119.2 | 50% | 0.5 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.6 | -36.6 | 178.7 | -76.3 | -177 | 156.8 | 0 | 0 | 112.5 | T154 M160 F161 | T154-E157 PolarHBondContact O-N 3.01Å; E157-M160 HydrophobicContact CG-CE 4.19Å; E157-F161 WeakPolarHBondContact O-CB 3.29Å; E157-F161 PolarHBondContact O-N 2.97Å |
| 158 | Q | 77.8 | Confident | 75.2 | Confident | 99 Ų | 99 | 119.8 Ų | 119.8 | 46% | 0.463 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.3 | -42.4 | 173.6 | -69.6 | -171.3 | -30.5 | 0 | 0 | 111.2 | K153 T154 A155 F161 Q162 | K153-Q158 HydrophobicContact CB-CG 3.54Å; K153-Q158 HydrophobicContact CD-CG 3.85Å; K153-Q158 HydrophobicContact CG-CG 4.34Å; T154-Q158 PolarHBondContact O-N 3.02Å; A155-Q158 PolarHBondContact O-N 2.91Å; Q158-F161 PolarHBondContact O-N 3.18Å; Q158-Q162 WeakPolarHBondContact O-CG 3.34Å; Q158-Q162 PolarHBondContact O-N 2.99Å |
| 159 | E | 84 | Confident | 76.5 | Confident | 88 Ų | 88 | 120.4 Ų | 120.4 | 41% | 0.411 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.8 | -44.9 | 177.5 | -168.7 | -175.2 | 174 | 0 | 0 | 111.9 | A155 K156 F161 Q162 R163 | A155-E159 WeakPolarHBondContact O-CB 3.49Å; A155-E159 PolarHBondContact O-N 2.88Å; K156-E159 PolarHBondContact O-N 2.87Å; E159-F161 VanDerWaalsContact C-N 3.31Å; E159-F161 PolarHBondContact O-N 3.14Å; E159-Q162 PolarHBondContact O-N 3.35Å; E159-R163 WeakPolarHBondContact O-CB 3.47Å; E159-R163 WeakPolarHBondContact O-CG 3.45Å; E159-R163 PolarHBondContact O-N 2.64Å; E159-R163 IonicContact OE1-CZ 3.25Å; E159-R163 VanDerWaalsContact OE1-CZ 3.25Å; E159-R163 IonicContact OE1-NE 3.25Å; E159-R163 PolarHBondContact OE1-NE 3.22Å; E159-R163 IonicContact OE1-NH2 2.65Å; E159-R163 PolarHBondContact OE1-NH2 3.29Å |
| 160 | M | 85.4 | Confident | 78 | Confident | 119 Ų | 119 | 122.7 Ų | 122.7 | 59% | 0.586 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.9 | -40.4 | 175 | -73.9 | -171.5 | -67.8 | 0 | 0 | 112 | K156 E157 R163 A164 | K156-M160 WeakPolarHBondContact O-CG 3.48Å; K156-M160 PolarHBondContact O-N 2.86Å; E157-M160 HydrophobicContact CG-CE 4.19Å; M160-R163 PolarHBondContact O-N 3.43Å; M160-A164 WeakPolarHBondContact O-CB 3.47Å; M160-A164 PolarHBondContact O-N 2.92Å |
| 161 | F | 86.3 | Confident | 79.5 | Confident | 112 Ų | 112 | 122 Ų | 122 | 49% | 0.491 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.8 | -41.7 | 176.6 | -174 | -106 | 0 | 0 | 0 | 112.3 | E157 Q158 E159 A164 Q165 | E157-F161 WeakPolarHBondContact O-CB 3.29Å; E157-F161 PolarHBondContact O-N 2.97Å; Q158-F161 PolarHBondContact O-N 3.18Å; E159-F161 VanDerWaalsContact C-N 3.31Å; E159-F161 PolarHBondContact O-N 3.14Å; F161-A164 PolarHBondContact O-N 3.4Å; F161-Q165 HydrophobicContact CE1-CG 4.44Å; F161-Q165 VanDerWaalsContact CZ-NE2 3.3Å; F161-Q165 WeakPolarHBondContact O-CG 3.35Å; F161-Q165 PolarHBondContact O-N 3.41Å |
| 162 | Q | 87.2 | Confident | 80.6 | Confident | 129 Ų | 129 | 117.5 Ų | 117.5 | 60% | 0.603 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.4 | -42.8 | 174.5 | -73.6 | -179.5 | 6 | 0 | 0 | 111.9 | Q158 E159 A164 Q165 A166 | Q158-Q162 WeakPolarHBondContact O-CG 3.34Å; Q158-Q162 PolarHBondContact O-N 2.99Å; E159-Q162 PolarHBondContact O-N 3.35Å; Q162-A164 PolarHBondContact O-N 2.95Å; Q162-Q165 PolarHBondContact O-N 2.99Å; Q162-A166 WeakPolarHBondContact O-CB 3.33Å; Q162-A166 PolarHBondContact O-N 3.38Å |
| 163 | R | 87.5 | Confident | 81.7 | Confident | 155 Ų | 155 | 110.6 Ų | 110.6 | 59% | 0.585 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 175.1 | -73.5 | 178.4 | -177.2 | -160.2 | 1.8 | 111.8 | E159 M160 Q165 A166 L167 | E159-R163 WeakPolarHBondContact O-CB 3.47Å; E159-R163 WeakPolarHBondContact O-CG 3.45Å; E159-R163 PolarHBondContact O-N 2.64Å; E159-R163 IonicContact OE1-CZ 3.25Å; E159-R163 VanDerWaalsContact OE1-CZ 3.25Å; E159-R163 IonicContact OE1-NE 3.25Å; E159-R163 PolarHBondContact OE1-NE 3.22Å; E159-R163 IonicContact OE1-NH2 2.65Å; E159-R163 PolarHBondContact OE1-NH2 3.29Å; M160-R163 PolarHBondContact O-N 3.43Å; R163-Q165 VanDerWaalsContact C-N 3.34Å; R163-Q165 PolarHBondContact O-N 3.03Å; R163-A166 PolarHBondContact O-N 2.9Å; R163-L167 WeakPolarHBondContact O-CG 3.31Å; R163-L167 PolarHBondContact O-N 3.1Å |
| 164 | A | 89.9 | Confident | 82.5 | Confident | 57 Ų | 57 | 112.4 Ų | 112.4 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | M160 F161 Q162 L167 R168 | M160-A164 WeakPolarHBondContact O-CB 3.47Å; M160-A164 PolarHBondContact O-N 2.92Å; F161-A164 PolarHBondContact O-N 3.4Å; Q162-A164 PolarHBondContact O-N 2.95Å; A164-L167 PolarHBondContact O-N 3.43Å; A164-R168 PolarHBondContact O-N 3.01Å |
| 165 | Q | 90.3 | Very high | 82.6 | Confident | 87 Ų | 87 | 116.2 Ų | 116.2 | 41% | 0.407 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 173.6 | -74.1 | -171.1 | -0.8 | 0 | 0 | 112.6 | F161 Q162 R163 R168 R169 | F161-Q165 HydrophobicContact CE1-CG 4.44Å; F161-Q165 VanDerWaalsContact CZ-NE2 3.3Å; F161-Q165 WeakPolarHBondContact O-CG 3.35Å; F161-Q165 PolarHBondContact O-N 3.41Å; Q162-Q165 PolarHBondContact O-N 2.99Å; R163-Q165 VanDerWaalsContact C-N 3.34Å; R163-Q165 PolarHBondContact O-N 3.03Å; Q165-R168 WeakPolarHBondContact O-CB 3.5Å; Q165-R168 PolarHBondContact O-N 2.95Å; Q165-R169 PolarHBondContact O-N 3.21Å |
| 166 | A | 88.1 | Confident | 82.4 | Confident | 45 Ų | 45 | 121 Ų | 121 | 37% | 0.372 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q162 R163 R168 R169 R170 | Q162-A166 WeakPolarHBondContact O-CB 3.33Å; Q162-A166 PolarHBondContact O-N 3.38Å; R163-A166 PolarHBondContact O-N 2.9Å; A166-R168 VanDerWaalsContact C-N 3.32Å; A166-R168 PolarHBondContact O-N 3.28Å; A166-R169 PolarHBondContact O-N 3.35Å; A166-R170 WeakPolarHBondContact O-CG 3.18Å; A166-R170 PolarHBondContact O-N 2.98Å |
| 167 | L | 89.7 | Confident | 82.1 | Confident | 109 Ų | 109 | 118.2 Ų | 118.2 | 57% | 0.571 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.3 | -40.7 | 173.9 | -74.1 | 171.2 | 0 | 0 | 0 | 111.8 | R163 A164 R170 A171 | R163-L167 WeakPolarHBondContact O-CG 3.31Å; R163-L167 PolarHBondContact O-N 3.1Å; A164-L167 PolarHBondContact O-N 3.43Å; L167-R170 PolarHBondContact O-N 2.88Å; L167-A171 PolarHBondContact O-N 3.04Å |
| 168 | R | 86.9 | Confident | 81.6 | Confident | 174 Ų | 174 | 120 Ų | 120 | 66% | 0.657 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.2 | -45.2 | 176.5 | -171.2 | 176.8 | 174.1 | 167.1 | 3.5 | 112 | A164 Q165 A166 A171 E172 | A164-R168 PolarHBondContact O-N 3.01Å; Q165-R168 WeakPolarHBondContact O-CB 3.5Å; Q165-R168 PolarHBondContact O-N 2.95Å; A166-R168 VanDerWaalsContact C-N 3.32Å; A166-R168 PolarHBondContact O-N 3.28Å; R168-A171 PolarHBondContact O-N 2.89Å; R168-E172 IonicContact NE-OE1 3.45Å; R168-E172 PolarHBondContact NE-OE1 2.97Å; R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 2.96Å |
| 169 | R | 85.7 | Confident | 80.7 | Confident | 167 Ų | 167 | 117.9 Ų | 117.9 | 63% | 0.63 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.9 | -44.4 | 174.9 | -71.4 | -176.8 | -178.1 | 173.2 | 1.4 | 111.9 | Q165 A166 A171 E172 D173 | Q165-R169 PolarHBondContact O-N 3.21Å; A166-R169 PolarHBondContact O-N 3.35Å; R169-A171 VanDerWaalsContact C-N 3.31Å; R169-A171 PolarHBondContact O-N 3.3Å; R169-E172 PolarHBondContact O-N 3.3Å; R169-D173 WeakPolarHBondContact O-CB 3.5Å; R169-D173 VanDerWaalsContact O-CG 3.25Å; R169-D173 PolarHBondContact O-N 2.91Å |
| 170 | R | 84.9 | Confident | 79.4 | Confident | 180 Ų | 180 | 118.1 Ų | 118.1 | 68% | 0.679 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.9 | -37.9 | 176 | -75 | -179.8 | -176.9 | 164.8 | 1.1 | 113.1 | A166 L167 D173 Y174 | A166-R170 WeakPolarHBondContact O-CG 3.18Å; A166-R170 PolarHBondContact O-N 2.98Å; L167-R170 PolarHBondContact O-N 2.88Å; R170-D173 PolarHBondContact O-N 3.03Å; R170-Y174 WeakPolarHBondContact O-CB 3.26Å; R170-Y174 PolarHBondContact O-N 3.46Å |
| 171 | A | 82.1 | Confident | 78.1 | Confident | 60 Ų | 60 | 117.3 Ų | 117.3 | 50% | 0.496 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.7 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L167 R168 R169 Y174 Y175 | L167-A171 PolarHBondContact O-N 3.04Å; R168-A171 PolarHBondContact O-N 2.89Å; R169-A171 VanDerWaalsContact C-N 3.31Å; R169-A171 PolarHBondContact O-N 3.3Å; A171-Y174 PolarHBondContact O-N 3.48Å; A171-Y175 PolarHBondContact O-N 3.4Å |
| 172 | E | 80.3 | Confident | 76.6 | Confident | 101 Ų | 101 | 117.8 Ų | 117.8 | 47% | 0.472 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.2 | -41.1 | 174.4 | -72.2 | 172.3 | -165.3 | 0 | 0 | 111.6 | R168 R169 Y175 R176 | R168-E172 IonicContact NE-OE1 3.45Å; R168-E172 PolarHBondContact NE-OE1 2.97Å; R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 2.96Å; R169-E172 PolarHBondContact O-N 3.3Å; E172-Y175 PolarHBondContact O-N 3.41Å; E172-R176 VanDerWaalsContact O-CG 3.26Å; E172-R176 WeakPolarHBondContact O-CG 3.33Å; E172-R176 PolarHBondContact O-N 3.42Å |
| 173 | D | 82.3 | Confident | 75.1 | Confident | 96 Ų | 96 | 114.6 Ų | 114.6 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.4 | -43.1 | 175.9 | -68.8 | -26.2 | 0 | 0 | 0 | 111.8 | R169 R170 Y175 R176 C177 | R169-D173 WeakPolarHBondContact O-CB 3.5Å; R169-D173 VanDerWaalsContact O-CG 3.25Å; R169-D173 PolarHBondContact O-N 2.91Å; R170-D173 PolarHBondContact O-N 3.03Å; D173-Y175 VanDerWaalsContact C-N 3.28Å; D173-Y175 PolarHBondContact O-N 2.88Å; D173-R176 WeakPolarHBondContact O-CB 3.29Å; D173-R176 PolarHBondContact O-N 3.39Å; D173-R176 VanDerWaalsContact O-N 3.16Å; D173-C177 WeakPolarHBondContact O-CB 3.24Å; D173-C177 PolarHBondContact O-N 3.31Å; D173-C177 PolarHBondContact O-SG 3.45Å |
| 174 | Y | 75.2 | Confident | 73.7 | Confident | 150 Ų | 150 | 113.7 Ų | 113.7 | 59% | 0.588 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.1 | -43.3 | 173.3 | 175.7 | -99.9 | 0 | 0 | 0 | 111.5 | R170 A171 C177 K178 | R170-Y174 WeakPolarHBondContact O-CB 3.26Å; R170-Y174 PolarHBondContact O-N 3.46Å; A171-Y174 PolarHBondContact O-N 3.48Å; Y174-C177 PolarHBondContact O-N 3.45Å; Y174-K178 HydrophobicContact CD1-CG 4.43Å; Y174-K178 HydrophobicContact CE1-CG 4.09Å; Y174-K178 HydrophobicContact CE2-CG 4.32Å; Y174-K178 VanDerWaalsContact CZ-CE 3.41Å; Y174-K178 WeakPolarHBondContact O-CG 3.2Å; Y174-K178 PolarHBondContact O-N 2.96Å; Y174-K178 WeakPolarHBondContact OH-CE 3.44Å |
| 175 | Y | 70.6 | Confident | 71.9 | Confident | 165 Ų | 165 | 119.7 Ų | 119.7 | 65% | 0.647 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.9 | -41.4 | 176.1 | -166.6 | -100.7 | 0 | 0 | 0 | 111.9 | A171 E172 D173 C177 K178 I179 | A171-Y175 PolarHBondContact O-N 3.4Å; E172-Y175 PolarHBondContact O-N 3.41Å; D173-Y175 VanDerWaalsContact C-N 3.28Å; D173-Y175 PolarHBondContact O-N 2.88Å; Y175-C177 VanDerWaalsContact C-N 3.3Å; Y175-C177 PolarHBondContact O-N 2.92Å; Y175-K178 PolarHBondContact O-N 3.3Å; Y175-I179 HydrophobicContact CD1-CD1 3.84Å; Y175-I179 HydrophobicContact CE1-CD1 3.7Å; Y175-I179 HydrophobicContact CE1-CG1 4.37Å; Y175-I179 WeakPolarHBondContact O-CG1 3.44Å; Y175-I179 PolarHBondContact O-N 2.97Å |
| 176 | R | 66.8 | Low | 69.9 | Low | 180 Ų | 180 | 120.4 Ų | 120.4 | 68% | 0.679 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.3 | -34.9 | 174.5 | -72.9 | -111.4 | -173.6 | -179.2 | 2 | 113.3 | E172 D173 R184 | E172-R176 VanDerWaalsContact O-CG 3.26Å; E172-R176 WeakPolarHBondContact O-CG 3.33Å; E172-R176 PolarHBondContact O-N 3.42Å; D173-R176 WeakPolarHBondContact O-CB 3.29Å; D173-R176 PolarHBondContact O-N 3.39Å; D173-R176 VanDerWaalsContact O-N 3.16Å; R176-R184 PolarHBondContact O-NH2 2.88Å |
| 177 | C | 68.3 | Low | 68 | Low | 103 Ų | 103 | 126.8 Ų | 126.8 | 70% | 0.696 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -79.6 | -26.3 | 178.4 | -69.4 | 0 | 0 | 0 | 0 | 113.2 | D173 Y174 Y175 | D173-C177 WeakPolarHBondContact O-CB 3.24Å; D173-C177 PolarHBondContact O-N 3.31Å; D173-C177 PolarHBondContact O-SG 3.45Å; Y174-C177 PolarHBondContact O-N 3.45Å; Y175-C177 VanDerWaalsContact C-N 3.3Å; Y175-C177 PolarHBondContact O-N 2.92Å |
| 178 | K | 64.7 | Low | 65.9 | Low | 143 Ų | 143 | 127 Ų | 127 | 62% | 0.622 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -77.9 | -18.8 | 174.6 | -78.1 | -77.5 | -170.7 | 176.2 | 0 | 113.9 | Y174 Y175 | Y174-K178 HydrophobicContact CD1-CG 4.43Å; Y174-K178 HydrophobicContact CE1-CG 4.09Å; Y174-K178 HydrophobicContact CE2-CG 4.32Å; Y174-K178 VanDerWaalsContact CZ-CE 3.41Å; Y174-K178 WeakPolarHBondContact O-CG 3.2Å; Y174-K178 PolarHBondContact O-N 2.96Å; Y174-K178 WeakPolarHBondContact OH-CE 3.44Å; Y175-K178 PolarHBondContact O-N 3.3Å |
| 179 | I | 58.9 | Low | 63.8 | Low | 56 Ų | 56 | 124.9 Ų | 124.9 | 29% | 0.287 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -78.8 | 120.6 | 173.8 | -62.8 | 163.7 | 0 | 0 | 0 | 108.9 | Y175 A183 R184 | Y175-I179 HydrophobicContact CD1-CD1 3.84Å; Y175-I179 HydrophobicContact CE1-CD1 3.7Å; Y175-I179 HydrophobicContact CE1-CG1 4.37Å; Y175-I179 WeakPolarHBondContact O-CG1 3.44Å; Y175-I179 PolarHBondContact O-N 2.97Å; I179-A183 HydrophobicContact CG2-CB 3.9Å; I179-R184 HydrophobicContact CG2-CG 4.08Å |
| 180 | T | 57.5 | Low | 61.6 | Low | 93 Ų | 93 | 127.9 Ų | 127.9 | 57% | 0.571 | 64% | 0.643 | S | S | * | * | trans | -54.3 | 139.4 | 173.2 | 31.7 | 0 | 0 | 0 | 0 | 110.9 | S182 A183 R184 | T180-S182 PolarHBondContact O-N 3.45Å; T180-A183 PolarHBondContact O-N 3.45Å; T180-R184 PolarHBondContact O-N 3.29Å | ||
| 181 | P | 57.1 | Low | 59.1 | Low | 101 Ų | 101 | 121.9 Ų | 121.9 | 66% | 0.656 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -52.8 | -33.5 | -179.4 | -27 | 33.9 | 0 | 0 | 0 | 113.7 | A183 R184 | P181-A183 VanDerWaalsContact C-N 3.34Å; P181-A183 PolarHBondContact O-N 3.33Å; P181-R184 WeakPolarHBondContact O-CB 3.29Å; P181-R184 PolarHBondContact O-N 2.87Å |
| 182 | S | 55.1 | Low | 57.1 | Low | 122 Ų | 122 | 124 Ų | 124 | 85% | 0.853 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -68.2 | -25.1 | 177 | 175.8 | 0 | 0 | 0 | 0 | 114.3 | T180 | T180-S182 PolarHBondContact O-N 3.45Š|
| 183 | A | 54.8 | Low | 55.1 | Low | 62 Ų | 62 | 128.4 Ų | 128.4 | 51% | 0.512 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -88.5 | -5.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | I179 T180 P181 K185 | I179-A183 HydrophobicContact CG2-CB 3.9Å; T180-A183 PolarHBondContact O-N 3.45Å; P181-A183 VanDerWaalsContact C-N 3.34Å; P181-A183 PolarHBondContact O-N 3.33Å; A183-K185 PolarHBondContact O-N 3.25Å |
| 184 | R | 58.5 | Low | 53 | Low | 136 Ų | 136 | 129.9 Ų | 129.9 | 51% | 0.513 | 66% | 0.657 | S | S | . | * | trans | -75.8 | 78.6 | 169.2 | -60.1 | 178.9 | -176.6 | 172.8 | -2.2 | 108.2 | R176 I179 T180 P181 P186 | R176-R184 PolarHBondContact O-NH2 2.88Å; I179-R184 HydrophobicContact CG2-CG 4.08Å; T180-R184 PolarHBondContact O-N 3.29Å; P181-R184 WeakPolarHBondContact O-CB 3.29Å; P181-R184 PolarHBondContact O-N 2.87Å; R184-P186 VanDerWaalsContact O-CD 3.29Å; R184-P186 WeakPolarHBondContact O-CD 3.49Å; R184-P186 VanDerWaalsContact O-N 3.11Å | ||
| 185 | K | 52.9 | Low | 51.4 | Low | 183 Ų | 183 | 130.1 Ų | 130.1 | 80% | 0.796 | 67% | 0.668 | S | S | * | * | trans | -53.4 | 120.6 | 160.7 | -76.7 | -175.6 | 177.2 | -177.6 | 0 | 106.9 | A183 L187 | A183-K185 PolarHBondContact O-N 3.25Å; K185-L187 PolarHBondContact O-N 2.9Å; K185-L187 VanDerWaalsContact O-N 3.08Å | ||
| 186 | P | 48.2 | Very low | 50 | Low | 103 Ų | 103 | 127.7 Ų | 127.7 | 67% | 0.669 | 67% | 0.67 | S | S | * | * | trans | -66.2 | 115.8 | 166.8 | 28 | -28.9 | 0 | 0 | 0 | 105.2 | R184 C188 | R184-P186 VanDerWaalsContact O-CD 3.29Å; R184-P186 WeakPolarHBondContact O-CD 3.49Å; R184-P186 VanDerWaalsContact O-N 3.11Å; P186-C188 HydrophobicContact CB-CB 4.07Å; P186-C188 PolarHBondContact O-N 3.31Å | ||
| 187 | L | 48.3 | Very low | 48.8 | Very low | 179 Ų | 179 | 125 Ų | 125 | 94% | 0.937 | 67% | 0.668 | S | S | * | * | trans | -70.1 | 59 | 155.8 | -74.1 | 167.7 | 0 | 0 | 0 | 107.6 | K185 | K185-L187 PolarHBondContact O-N 2.9Å; K185-L187 VanDerWaalsContact O-N 3.08Å | ||
| 188 | C | 45 | Very low | 47.4 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | trans | -101.8 | 71.9 | 164.8 | -75.4 | 0 | 0 | 0 | 0 | 106.5 | P186 | P186-C188 HydrophobicContact CB-CB 4.07Å; P186-C188 PolarHBondContact O-N 3.31Å | ||
| 189 | N | 42 | Very low | 46.5 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 68% | 0.684 | 69% | 0.686 | S | S | * | * | trans | -133.6 | 109 | 130.4 | -152.6 | -9.1 | 0 | 0 | 0 | 106.6 | C191 | N189-C191 PolarHBondContact ND2-SG 3.03Å; N189-C191 PolarHBondContact O-N 2.91Å | ||
| 190 | R | 40.5 | Very low | 45.7 | Very low | 230 Ų | 230 | 125 Ų | 125 | 87% | 0.868 | 70% | 0.702 | S | S | * | * | trans | -69.1 | 66 | 161.5 | -172.5 | 179.5 | -177.5 | -174.8 | -0.1 | 106.3 | T192 | R190-T192 VanDerWaalsContact C-N 3.29Å; R190-T192 PolarHBondContact O-N 3.02Å | ||
| 191 | C | 31.9 | Very low | 45 | Very low | 55 Ų | 55 | 129.2 Ų | 129.2 | 37% | 0.372 | 72% | 0.715 | S | S | . | * | trans | -71.8 | 96.3 | 162.8 | -73.9 | 0 | 0 | 0 | 0 | 105.6 | N189 Y193 | N189-C191 PolarHBondContact ND2-SG 3.03Å; N189-C191 PolarHBondContact O-N 2.91Å; C191-Y193 HydrophobicContact CB-CD2 3.85Å; C191-Y193 HydrophobicContact CB-CE2 3.43Å; C191-Y193 VanDerWaalsContact CB-CE2 3.43Å; C191-Y193 PolarHBondContact O-N 3.42Å | ||
| 192 | T | 40.3 | Very low | 44.3 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 63% | 0.632 | 72% | 0.715 | S | S | * | * | trans | -59.7 | 86.9 | 154.9 | 43.5 | 0 | 0 | 0 | 0 | 107.4 | R190 N194 | R190-T192 VanDerWaalsContact C-N 3.29Å; R190-T192 PolarHBondContact O-N 3.02Å; T192-N194 PolarHBondContact O-N 3.31Å | ||
| 193 | Y | 37.2 | Very low | 43.7 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 76% | 0.761 | 71% | 0.711 | S | S | * | * | trans | -70.1 | 93 | 157.3 | -65.6 | -75.2 | 0 | 0 | 0 | 105.6 | C191 L195 | C191-Y193 HydrophobicContact CB-CD2 3.85Å; C191-Y193 HydrophobicContact CB-CE2 3.43Å; C191-Y193 VanDerWaalsContact CB-CE2 3.43Å; C191-Y193 PolarHBondContact O-N 3.42Å; Y193-L195 PolarHBondContact O-N 3.31Å | ||
| 194 | N | 39.3 | Very low | 42.7 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 68% | 0.684 | 72% | 0.722 | S | S | * | * | trans | -58.5 | 97 | 161.4 | -71.7 | -45.7 | 0 | 0 | 0 | 106.4 | T192 V196 | T192-N194 PolarHBondContact O-N 3.31Å; N194-V196 HydrophobicContact CB-CG2 4.41Å; N194-V196 PolarHBondContact O-N 2.81Å | ||
| 195 | L | 41.5 | Very low | 41.7 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | trans | -65.3 | 88 | 158.4 | -106.3 | 122.8 | 0 | 0 | 0 | 106 | Y193 L197 | Y193-L195 PolarHBondContact O-N 3.31Å; L195-L197 VanDerWaalsContact C-N 3.26Å; L195-L197 PolarHBondContact O-N 3.02Å | ||
| 196 | V | 40.4 | Very low | 40.9 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | trans | -66.2 | 96.5 | 161.3 | 178.4 | 0 | 0 | 0 | 0 | 105.3 | N194 | N194-V196 HydrophobicContact CB-CG2 4.41Å; N194-V196 PolarHBondContact O-N 2.81Å | ||
| 197 | L | 41.8 | Very low | 40.4 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | trans | -59 | 130.2 | 159.9 | -80.9 | 157.6 | 0 | 0 | 0 | 107 | L195 G199 | L195-L197 VanDerWaalsContact C-N 3.26Å; L195-L197 PolarHBondContact O-N 3.02Å; L197-G199 PolarHBondContact O-N 3.46Å | ||
| 198 | P | 39.1 | Very low | 40.1 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 109.2 | 175.6 | 28.3 | -30.2 | 0 | 0 | 0 | 107.4 | ||
| 199 | G | 47.2 | Very low | 39.9 | Very low | 82 Ų | 82 | 145.8 Ų | 145.8 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.7 | 17.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | L197 | L197-G199 PolarHBondContact O-N 3.46Š|
| 200 | S | 41.3 | Very low | 39.8 | Very low | 89 Ų | 89 | 146.7 Ų | 146.7 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | trans | -111.4 | 98.6 | 168.9 | 65.5 | 0 | 0 | 0 | 0 | 111.3 | K202 | S200-K202 PolarHBondContact O-N 2.87Š| ||
| 201 | E | 43.5 | Very low | 39.8 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -52.4 | 127.4 | 167.7 | -74.1 | -176.4 | 147.5 | 0 | 0 | 110.6 | K203 | E201-K203 PolarHBondContact O-N 2.92Š| ||
| 202 | K | 42.3 | Very low | 40.2 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | trans | -86.8 | 105 | 172.7 | -65.4 | -174.5 | -179 | -178.2 | 0 | 108.6 | S200 Y204 | S200-K202 PolarHBondContact O-N 2.87Å; K202-Y204 HydrophobicContact CB-CD2 4.41Å; K202-Y204 HydrophobicContact CB-CE2 3.9Å; K202-Y204 PolarHBondContact O-N 3.07Å | ||
| 203 | K | 41.1 | Very low | 40.2 | Very low | 178 Ų | 178 | 150 Ų | 150 | 77% | 0.774 | 80% | 0.804 | S | S | * | * | trans | -77.4 | 114.4 | 161.5 | -70.6 | -169.5 | 178.8 | -174.8 | 0 | 108.3 | E201 | E201-K203 PolarHBondContact O-N 2.92Š| ||
| 204 | Y | 34.9 | Very low | 40.4 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 74% | 0.737 | 81% | 0.807 | S | S | * | * | trans | -86.1 | 121.9 | 170.8 | -68.1 | -88.1 | 0 | 0 | 0 | 108.6 | K202 | K202-Y204 HydrophobicContact CB-CD2 4.41Å; K202-Y204 HydrophobicContact CB-CE2 3.9Å; K202-Y204 PolarHBondContact O-N 3.07Å | ||
| 205 | Y | 37.3 | Very low | 40.5 | Very low | 207 Ų | 207 | 148.4 Ų | 148.4 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -101.6 | 115.7 | 157.6 | -84 | -84.5 | 0 | 0 | 0 | 107.4 | ||||
| 206 | S | 34.9 | Very low | 40.4 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -83.6 | 122.2 | 167.1 | -66.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 207 | H | 38.8 | Very low | 40.4 | Very low | 190 Ų | 190 | 150.8 Ų | 150.8 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | trans | -89.9 | 119.2 | 162.7 | -86.8 | -84.1 | 0 | 0 | 0 | 108.1 | ||||
| 208 | A | 42.9 | Very low | 40.3 | Very low | 172 Ų | 172 | 153.2 Ų | 153.2 | 100% | 1.421 | 84% | 0.842 | S | S | * | * | trans | -103.6 | 0 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 208 of 208 residues in 178.1 ms
(Link to these results)