| 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 | 65.1 | Low | 77.5 | Confident | 185 Ų | 185 | 115.7 Ų | 115.7 | 91% | 0.911 | 61% | 0.613 | S | S | * | * | 0 | -53.6 | 0 | -67.2 | -55 | 169.6 | 0 | 0 | 113 | L3 L4 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.37Å; M1-L4 PolarHBondContact O-N 3.15Å | |||
| 2 | L | 75 | Confident | 77.4 | Confident | 140 Ų | 140 | 117.9 Ų | 117.9 | 73% | 0.733 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -58.7 | -34.6 | -177 | -133.5 | 130.4 | 0 | 0 | 0 | 114.8 | L4 F5 L6 | L2-L4 PolarHBondContact O-N 3.27Å; L2-F5 PolarHBondContact O-N 3.47Å; L2-L6 HydrophobicContact CD2-CD1 3.89Å; L2-L6 PolarHBondContact O-N 3.44Å; L2-L6 VanDerWaalsContact O-N 3.14Å |
| 3 | L | 75.3 | Confident | 77.4 | Confident | 145 Ų | 145 | 117.9 Ų | 117.9 | 76% | 0.759 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.3 | -36.7 | 179.6 | -158.2 | 85.9 | 0 | 0 | 0 | 113 | M1 L6 L7 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.37Å; L3-L6 PolarHBondContact O-N 3.47Å; L3-L7 PolarHBondContact O-N 3.2Å |
| 4 | L | 78.6 | Confident | 77.2 | Confident | 122 Ų | 122 | 116.9 Ų | 116.9 | 64% | 0.639 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.9 | -39.6 | 179.7 | -71.2 | 166.7 | 0 | 0 | 0 | 111.2 | M1 L2 L6 L7 G8 | M1-L4 PolarHBondContact O-N 3.15Å; L2-L4 PolarHBondContact O-N 3.27Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 PolarHBondContact O-N 3.43Å; L4-L7 PolarHBondContact O-N 3.49Å; L4-G8 PolarHBondContact O-N 3.47Å |
| 5 | F | 76.9 | Confident | 76.8 | Confident | 168 Ų | 168 | 115.9 Ų | 115.9 | 74% | 0.737 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.3 | -41.5 | 173.4 | -87.7 | -79.4 | 0 | 0 | 0 | 112.2 | L2 G8 A9 | L2-F5 PolarHBondContact O-N 3.47Å; F5-G8 PolarHBondContact O-N 3.42Å; F5-A9 WeakPolarHBondContact O-CB 3.09Å; F5-A9 PolarHBondContact O-N 3.3Å |
| 6 | L | 80.5 | Confident | 76.3 | Confident | 111 Ų | 111 | 113.4 Ų | 113.4 | 58% | 0.581 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.1 | -40.2 | 174.5 | -95 | 139.2 | 0 | 0 | 0 | 112.3 | L2 L3 L4 F10 | L2-L6 HydrophobicContact CD2-CD1 3.89Å; L2-L6 PolarHBondContact O-N 3.44Å; L2-L6 VanDerWaalsContact O-N 3.14Å; L3-L6 PolarHBondContact O-N 3.47Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 PolarHBondContact O-N 3.43Å; L6-F10 WeakPolarHBondContact O-CB 3.48Å; L6-F10 PolarHBondContact O-N 2.87Å |
| 7 | L | 81 | Confident | 75.3 | Confident | 116 Ų | 116 | 111.9 Ų | 111.9 | 61% | 0.607 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66 | -43.6 | 178.4 | -149.8 | 78 | 0 | 0 | 0 | 111.3 | L3 L4 F10 T11 | L3-L7 PolarHBondContact O-N 3.2Å; L4-L7 PolarHBondContact O-N 3.49Å; L7-F10 PolarHBondContact O-N 2.8Å; L7-T11 WeakPolarHBondContact O-CG2 3.3Å; L7-T11 PolarHBondContact O-N 2.8Å; L7-T11 PolarHBondContact O-OG1 3.13Å |
| 8 | G | 81.3 | Confident | 74.2 | Confident | 29 Ų | 29 | 111.9 Ų | 111.9 | 30% | 0.299 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.3 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L4 F5 F10 T11 H12 | L4-G8 PolarHBondContact O-N 3.47Å; F5-G8 PolarHBondContact O-N 3.42Å; G8-F10 VanDerWaalsContact C-N 3.28Å; G8-F10 PolarHBondContact O-N 3.33Å; G8-T11 WeakPolarHBondContact CA-OG1 3.34Å; G8-T11 PolarHBondContact O-N 3.36Å; G8-T11 PolarHBondContact O-OG1 3.03Å; G8-H12 PolarHBondContact O-CD2 3.01Å; G8-H12 PolarHBondContact O-N 3.37Å |
| 9 | A | 80.7 | Confident | 73.2 | Confident | 54 Ų | 54 | 111.9 Ų | 111.9 | 45% | 0.446 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.3 | -36.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F5 H12 L13 | F5-A9 WeakPolarHBondContact O-CB 3.09Å; F5-A9 PolarHBondContact O-N 3.3Å; A9-H12 PolarHBondContact O-N 2.8Å; A9-L13 PolarHBondContact O-N 3.39Å |
| 10 | F | 79.5 | Confident | 71.9 | Confident | 122 Ų | 122 | 112.7 Ų | 112.7 | 54% | 0.535 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.8 | -39.4 | 177.1 | -170.3 | -104.3 | 0 | 0 | 0 | 112.4 | L6 L7 G8 L13 L14 | L6-F10 WeakPolarHBondContact O-CB 3.48Å; L6-F10 PolarHBondContact O-N 2.87Å; L7-F10 PolarHBondContact O-N 2.8Å; G8-F10 VanDerWaalsContact C-N 3.28Å; G8-F10 PolarHBondContact O-N 3.33Å; F10-L13 PolarHBondContact O-N 3.01Å; F10-L14 HydrophobicContact CD1-CD1 3.86Å; F10-L14 HydrophobicContact CD1-CG 4.36Å; F10-L14 HydrophobicContact CE1-CD1 3.48Å; F10-L14 VanDerWaalsContact CE1-CD1 3.48Å; F10-L14 HydrophobicContact CE1-CG 4.05Å; F10-L14 HydrophobicContact CZ-CD1 4.15Å; F10-L14 HydrophobicContact CZ-CD2 4.43Å; F10-L14 HydrophobicContact CZ-CG 4.32Å; F10-L14 WeakPolarHBondContact O-CG 3.15Å; F10-L14 PolarHBondContact O-N 2.89Å |
| 11 | T | 78.5 | Confident | 71 | Confident | 81 Ų | 81 | 113.9 Ų | 113.9 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.9 | -37.4 | 174.7 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | L7 G8 L14 S15 | L7-T11 WeakPolarHBondContact O-CG2 3.3Å; L7-T11 PolarHBondContact O-N 2.8Å; L7-T11 PolarHBondContact O-OG1 3.13Å; G8-T11 WeakPolarHBondContact CA-OG1 3.34Å; G8-T11 PolarHBondContact O-N 3.36Å; G8-T11 PolarHBondContact O-OG1 3.03Å; T11-L14 PolarHBondContact O-N 3.45Å; T11-S15 WeakPolarHBondContact O-CB 3.18Å; T11-S15 PolarHBondContact O-N 3.48Å |
| 12 | H | 76.4 | Confident | 70 | Confident | 142 Ų | 142 | 112.8 Ų | 112.8 | 66% | 0.657 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.6 | -40.4 | 172.8 | -80.3 | -67.2 | 0 | 0 | 0 | 112.4 | G8 A9 S15 A16 | G8-H12 PolarHBondContact O-CD2 3.01Å; G8-H12 PolarHBondContact O-N 3.37Å; A9-H12 PolarHBondContact O-N 2.8Å; H12-S15 PolarHBondContact O-N 3.28Å; H12-A16 WeakPolarHBondContact O-CB 3.41Å; H12-A16 PolarHBondContact O-N 3.39Å |
| 13 | L | 78.1 | Confident | 68.4 | Low | 118 Ų | 118 | 113.2 Ų | 113.2 | 62% | 0.618 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.6 | -43.5 | 174.7 | -91.1 | 156 | 0 | 0 | 0 | 112.3 | A9 F10 A16 V17 | A9-L13 PolarHBondContact O-N 3.39Å; F10-L13 PolarHBondContact O-N 3.01Å; L13-A16 PolarHBondContact O-N 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.4Å; L13-V17 PolarHBondContact O-N 2.93Å |
| 14 | L | 74.3 | Confident | 66.9 | Low | 103 Ų | 103 | 111.9 Ų | 111.9 | 54% | 0.539 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.5 | -37.8 | 176.8 | -73.9 | 175.8 | 0 | 0 | 0 | 112.4 | F10 T11 A16 V17 | F10-L14 HydrophobicContact CD1-CD1 3.86Å; F10-L14 HydrophobicContact CD1-CG 4.36Å; F10-L14 HydrophobicContact CE1-CD1 3.48Å; F10-L14 VanDerWaalsContact CE1-CD1 3.48Å; F10-L14 HydrophobicContact CE1-CG 4.05Å; F10-L14 HydrophobicContact CZ-CD1 4.15Å; F10-L14 HydrophobicContact CZ-CD2 4.43Å; F10-L14 HydrophobicContact CZ-CG 4.32Å; F10-L14 WeakPolarHBondContact O-CG 3.15Å; F10-L14 PolarHBondContact O-N 2.89Å; T11-L14 PolarHBondContact O-N 3.45Å; L14-A16 VanDerWaalsContact C-N 3.28Å; L14-A16 PolarHBondContact O-N 2.86Å; L14-V17 PolarHBondContact O-N 3.25Å |
| 15 | S | 71 | Confident | 65.4 | Low | 102 Ų | 102 | 112.2 Ų | 112.2 | 71% | 0.713 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.4 | -25.4 | 176 | -173.2 | 0 | 0 | 0 | 0 | 113.1 | T11 H12 | T11-S15 WeakPolarHBondContact O-CB 3.18Å; T11-S15 PolarHBondContact O-N 3.48Å; H12-S15 PolarHBondContact O-N 3.28Å |
| 16 | A | 68.1 | Low | 63.8 | Low | 76 Ų | 76 | 110.7 Ų | 110.7 | 63% | 0.628 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -1.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H12 L13 L14 P18 | H12-A16 WeakPolarHBondContact O-CB 3.41Å; H12-A16 PolarHBondContact O-N 3.39Å; L13-A16 PolarHBondContact O-N 3.28Å; L14-A16 VanDerWaalsContact C-N 3.28Å; L14-A16 PolarHBondContact O-N 2.86Å; A16-P18 WeakPolarHBondContact O-CD 3.47Å |
| 17 | V | 60 | Low | 62.2 | Low | 89 Ų | 89 | 116.1 Ų | 116.1 | 54% | 0.539 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -71.6 | 113.7 | 168.4 | 178.3 | 0 | 0 | 0 | 0 | 107 | L13 L14 V19 | L13-V17 WeakPolarHBondContact O-CG2 3.4Å; L13-V17 PolarHBondContact O-N 2.93Å; L14-V17 PolarHBondContact O-N 3.25Å; V17-V19 PolarHBondContact O-N 2.76Å |
| 18 | P | 55.8 | Low | 60.4 | Low | 111 Ų | 111 | 119.2 Ų | 119.2 | 72% | 0.721 | 65% | 0.652 | S | S | * | * | trans | -62.1 | 115.7 | 170 | 26.5 | -31.5 | 0 | 0 | 0 | 106.9 | A16 N20 | A16-P18 WeakPolarHBondContact O-CD 3.47Å; P18-N20 PolarHBondContact O-N 2.79Å | ||
| 19 | V | 55.1 | Low | 58.8 | Low | 112 Ų | 112 | 125.8 Ų | 125.8 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | trans | -58.4 | 111.5 | 160.5 | -178.9 | 0 | 0 | 0 | 0 | 104 | V17 D21 | V17-V19 PolarHBondContact O-N 2.76Å; V19-D21 VanDerWaalsContact CG1-OD1 3.3Å; V19-D21 WeakPolarHBondContact CG1-OD1 3.44Å; V19-D21 PolarHBondContact O-N 2.76Å | ||
| 20 | N | 47.6 | Very low | 56.9 | Low | 128 Ų | 128 | 130.3 Ų | 130.3 | 68% | 0.684 | 70% | 0.697 | S | S | * | * | trans | -69.2 | 87.1 | 177.2 | -165.6 | 15.7 | 0 | 0 | 0 | 106.1 | P18 H22 | P18-N20 PolarHBondContact O-N 2.79Å; N20-H22 PolarHBondContact O-N 3.14Å | ||
| 21 | D | 53.2 | Low | 55.4 | Low | 138 Ų | 138 | 131.1 Ų | 131.1 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | trans | -70.8 | 29.1 | 178.2 | -70.4 | -34.3 | 0 | 0 | 0 | 112.1 | V19 | V19-D21 VanDerWaalsContact CG1-OD1 3.3Å; V19-D21 WeakPolarHBondContact CG1-OD1 3.44Å; V19-D21 PolarHBondContact O-N 2.76Å | ||
| 22 | H | 42.2 | Very low | 53.6 | Low | 161 Ų | 161 | 131.4 Ų | 131.4 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | trans | -112.9 | 58.6 | 177.9 | -65.8 | -40.8 | 0 | 0 | 0 | 110.7 | N20 | N20-H22 PolarHBondContact O-N 3.14Š| ||
| 23 | E | 41.4 | Very low | 52.2 | Low | 149 Ų | 149 | 130.1 Ų | 130.1 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | trans | -149.8 | 103.1 | 150 | -141.6 | 177.5 | -169.3 | 0 | 0 | 108.2 | L25 | E23-L25 PolarHBondContact O-N 3.39Š| ||
| 24 | P | 45.2 | Very low | 50.7 | Low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | trans | -71.5 | 80 | 170.4 | 30.5 | -31.9 | 0 | 0 | 0 | 107.7 | T26 | P24-T26 PolarHBondContact O-N 3Š| ||
| 25 | L | 46.2 | Very low | 49.7 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | trans | -72.5 | 83.4 | 163.2 | -88 | 159.2 | 0 | 0 | 0 | 107 | E23 R27 | E23-L25 PolarHBondContact O-N 3.39Å; L25-R27 PolarHBondContact O-N 3.33Å | ||
| 26 | T | 44.3 | Very low | 48.9 | Very low | 135 Ų | 135 | 131 Ų | 131 | 83% | 0.828 | 73% | 0.734 | S | S | * | * | trans | -48.5 | 89.8 | 153.6 | 45.4 | 0 | 0 | 0 | 0 | 108.1 | P24 | P24-T26 PolarHBondContact O-N 3Š| ||
| 27 | R | 45.4 | Very low | 48.1 | Very low | 225 Ų | 225 | 133.6 Ų | 133.6 | 85% | 0.849 | 74% | 0.741 | S | S | * | * | trans | -128.3 | 98 | 164.1 | -137 | 178.6 | -173.7 | 160.9 | 2.6 | 106.6 | L25 L29 | L25-R27 PolarHBondContact O-N 3.33Å; R27-L29 PolarHBondContact O-N 2.96Å | ||
| 28 | E | 43.8 | Very low | 47.6 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | -28.8 | 125.9 | 156.3 | -64.8 | 179.9 | 145.3 | 0 | 0 | 110.9 | ||||
| 29 | L | 47.4 | Very low | 47.3 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | -171.4 | 105.1 | 128.3 | -101 | 143.5 | 0 | 0 | 0 | 107.3 | R27 | R27-L29 PolarHBondContact O-N 2.96Š| |||
| 30 | D | 42.2 | Very low | 47.1 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -14.5 | 132.4 | 154 | -68.8 | -49.1 | 0 | 0 | 0 | 114 | ||||
| 31 | V | 47.9 | Very low | 47.3 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | 165.5 | 126.1 | 122.8 | 161.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 32 | S | 40.2 | Very low | 47.2 | Very low | 86 Ų | 86 | 141.1 Ų | 141.1 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | trans | 95.1 | 104.3 | 158.6 | -149.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 33 | P | 46.1 | Very low | 47.6 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -87.7 | 6.8 | 179.2 | 30.3 | -25 | 0 | 0 | 0 | 115.8 | ||
| 34 | D | 47.9 | Very low | 48.1 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -103 | 7.3 | -165.2 | -71.6 | -25.4 | 0 | 0 | 0 | 117.4 | ||
| 35 | S | 52.5 | Low | 48.3 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -108.9 | 4.3 | -171.8 | 68.6 | 0 | 0 | 0 | 0 | 117.2 | ||
| 36 | S | 53.3 | Low | 48.8 | Very low | 90 Ų | 90 | 140.8 Ų | 140.8 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -99 | -5.4 | -165.8 | 68.8 | 0 | 0 | 0 | 0 | 117.1 | ||
| 37 | V | 52.1 | Low | 49.3 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -84.5 | -25 | -172.5 | -177.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 38 | L | 49 | Very low | 49.7 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -85.3 | -15.1 | -172.9 | -98.5 | 157.2 | 0 | 0 | 0 | 115.4 | ||
| 39 | V | 50.7 | Low | 50.1 | Low | 99 Ų | 99 | 128 Ų | 128 | 60% | 0.6 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -85.6 | -21.6 | -176.4 | 178.9 | 0 | 0 | 0 | 0 | 112.8 | R41 S42 | V39-R41 PolarHBondContact O-N 3.43Å; V39-S42 PolarHBondContact O-OG 3.42Å |
| 40 | K | 51.3 | Low | 50.4 | Low | 175 Ų | 175 | 121.7 Ų | 121.7 | 76% | 0.761 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.3 | -25.6 | -175.6 | -104.5 | -179.5 | 175.3 | -178.3 | 0 | 115 | ||
| 41 | R | 51.4 | Low | 50.8 | Low | 227 Ų | 227 | 122.2 Ų | 122.2 | 86% | 0.857 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -80.6 | -16.3 | -174.5 | -92.8 | -178.2 | 170.6 | 145 | -2.1 | 115.3 | V39 | V39-R41 PolarHBondContact O-N 3.43Å |
| 42 | S | 50.2 | Low | 51 | Low | 72 Ų | 72 | 123.2 Ų | 123.2 | 50% | 0.503 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -94.1 | -19.5 | -177.6 | 55 | 0 | 0 | 0 | 0 | 114.3 | V39 | V39-S42 PolarHBondContact O-OG 3.42Å |
| 43 | L | 51.1 | Low | 51.7 | Low | 120 Ų | 120 | 126.4 Ų | 126.4 | 63% | 0.628 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73.8 | -35.6 | 178.4 | -117.9 | 88.4 | 0 | 0 | 0 | 112.6 | K45 I46 T47 | L43-K45 PolarHBondContact O-N 2.76Å; L43-I46 PolarHBondContact O-N 3.3Å; L43-T47 PolarHBondContact O-OG1 3.5Å |
| 44 | D | 51.4 | Low | 51.9 | Low | 128 Ų | 128 | 127.4 Ų | 127.4 | 68% | 0.684 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -68.4 | -18 | -175.4 | -79.1 | -15.9 | 0 | 0 | 0 | 114.4 | ||
| 45 | K | 50.9 | Low | 52.2 | Low | 175 Ų | 175 | 122.7 Ų | 122.7 | 76% | 0.761 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -85.1 | -18.7 | 178.4 | -79.6 | -174.2 | 176.3 | -176.7 | 0 | 113.9 | L43 | L43-K45 PolarHBondContact O-N 2.76Å |
| 46 | I | 55.6 | Low | 52.2 | Low | 127 Ų | 127 | 125.7 Ų | 125.7 | 65% | 0.651 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -93.2 | -26.1 | -174.3 | -52.4 | 174.8 | 0 | 0 | 0 | 110.7 | L43 G50 | L43-I46 PolarHBondContact O-N 3.3Å; I46-G50 PolarHBondContact O-N 2.81Å |
| 47 | T | 54.1 | Low | 52.3 | Low | 92 Ų | 92 | 127 Ų | 127 | 56% | 0.564 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -71.7 | -32.4 | -177.4 | 16.6 | 0 | 0 | 0 | 0 | 114.3 | L43 | L43-T47 PolarHBondContact O-OG1 3.5Å |
| 48 | A | 53.9 | Low | 52.4 | Low | 76 Ų | 76 | 127.2 Ų | 127.2 | 63% | 0.628 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -75.2 | -37.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 49 | T | 53.2 | Low | 52.6 | Low | 105 Ų | 105 | 126.4 Ų | 126.4 | 64% | 0.644 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -87.5 | -17.4 | -178.1 | 40.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 50 | G | 52.6 | Low | 52.8 | Low | 35 Ų | 35 | 124 Ų | 124 | 36% | 0.361 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -84.4 | -19 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | I46 | I46-G50 PolarHBondContact O-N 2.81Å |
| 51 | H | 51.1 | Low | 52.9 | Low | 160 Ų | 160 | 119.7 Ų | 119.7 | 74% | 0.741 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.9 | -30.3 | -173.7 | -136.6 | 46.5 | 0 | 0 | 0 | 113.3 | ||
| 52 | E | 53.4 | Low | 53 | Low | 160 Ų | 160 | 113.2 Ų | 113.2 | 75% | 0.748 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -79.8 | -27.6 | -177.5 | -69 | -175.9 | 160.4 | 0 | 0 | 113.3 | H54 | E52-H54 PolarHBondContact O-N 3.21Å |
| 53 | Q | 53.3 | Low | 53.1 | Low | 153 Ų | 153 | 113.8 Ų | 113.8 | 72% | 0.715 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -78 | -17.6 | -179.8 | -75.4 | -170.9 | -29.4 | 0 | 0 | 114.3 | ||
| 54 | H | 51.3 | Low | 53.1 | Low | 137 Ų | 137 | 117.8 Ų | 117.8 | 63% | 0.634 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -87.7 | -27.1 | 177 | -86 | -79.7 | 0 | 0 | 0 | 113.4 | E52 E56 L57 E58 | E52-H54 PolarHBondContact O-N 3.21Å; H54-E56 PolarHBondContact O-N 3.45Å; H54-L57 PolarHBondContact O-N 2.9Å; H54-E58 PolarHBondContact O-N 3.4Å |
| 55 | A | 53.3 | Low | 53.1 | Low | 49 Ų | 49 | 118 Ų | 118 | 41% | 0.405 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.2 | -35.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | H59 | A55-H59 PolarHBondContact O-N 2.77Å |
| 56 | E | 53.7 | Low | 53.2 | Low | 166 Ų | 166 | 119.2 Ų | 119.2 | 78% | 0.776 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.2 | -30.3 | 179.5 | -68.2 | -172.7 | 164.9 | 0 | 0 | 113 | H54 | H54-E56 PolarHBondContact O-N 3.45Å |
| 57 | L | 55 | Low | 53 | Low | 118 Ų | 118 | 124.1 Ų | 124.1 | 62% | 0.618 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76.4 | -24.7 | -179.1 | -117.8 | 149.8 | 0 | 0 | 0 | 112.8 | H54 N61 | H54-L57 PolarHBondContact O-N 2.9Å; L57-N61 PolarHBondContact O-ND2 3.09Å; L57-N61 VanDerWaalsContact O-ND2 3.13Å |
| 58 | E | 54.6 | Low | 53 | Low | 134 Ų | 134 | 123.5 Ų | 123.5 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.3 | -40.6 | 174.2 | -73.8 | -169.6 | 157.8 | 0 | 0 | 112.1 | H54 G60 I62 | H54-E58 PolarHBondContact O-N 3.4Å; E58-G60 PolarHBondContact O-N 2.81Å; E58-I62 WeakPolarHBondContact O-CD1 3.3Å; E58-I62 WeakPolarHBondContact O-CG1 3.49Å |
| 59 | H | 53.6 | Low | 53.1 | Low | 147 Ų | 147 | 128.2 Ų | 128.2 | 68% | 0.681 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71 | -29.7 | -176 | -73.7 | 0.7 | 0 | 0 | 0 | 114.6 | A55 P63 | A55-H59 PolarHBondContact O-N 2.77Å; H59-P63 WeakPolarHBondContact O-CD 3.39Å |
| 60 | G | 53 | Low | 53.1 | Low | 49 Ų | 49 | 126.8 Ų | 126.8 | 51% | 0.505 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.1 | -21.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E58 | E58-G60 PolarHBondContact O-N 2.81Š|
| 61 | N | 54.2 | Low | 52.9 | Low | 83 Ų | 83 | 130 Ų | 130 | 44% | 0.444 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.9 | -15.9 | -171.7 | -72 | -43.4 | 0 | 0 | 0 | 114.3 | L57 | L57-N61 PolarHBondContact O-ND2 3.09Å; L57-N61 VanDerWaalsContact O-ND2 3.13Å |
| 62 | I | 53.9 | Low | 52.9 | Low | 91 Ų | 91 | 131.2 Ų | 131.2 | 47% | 0.467 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -66.5 | -37.8 | 178.1 | -64.2 | 160.7 | 0 | 0 | 0 | 113.9 | E58 R64 L65 | E58-I62 WeakPolarHBondContact O-CD1 3.3Å; E58-I62 WeakPolarHBondContact O-CG1 3.49Å; I62-R64 VanDerWaalsContact C-N 3.29Å; I62-R64 PolarHBondContact O-N 3.33Å; I62-L65 PolarHBondContact O-N 3.43Å |
| 63 | P | 51.3 | Low | 52.6 | Low | 84 Ų | 84 | 127.6 Ų | 127.6 | 55% | 0.545 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -74.2 | -17.4 | -178.1 | 25.6 | -30.8 | 0 | 0 | 0 | 114 | H59 | H59-P63 WeakPolarHBondContact O-CD 3.39Å |
| 64 | R | 52.8 | Low | 51.9 | Low | 205 Ų | 205 | 129.3 Ų | 129.3 | 77% | 0.774 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -78.5 | -27.6 | 175 | -85.2 | -177.2 | 171.6 | 149.7 | -1.6 | 113 | I62 | I62-R64 VanDerWaalsContact C-N 3.29Å; I62-R64 PolarHBondContact O-N 3.33Å |
| 65 | L | 50.5 | Low | 51.6 | Low | 131 Ų | 131 | 127.2 Ų | 127.2 | 69% | 0.686 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.7 | -35.7 | 177.9 | -79.1 | 157.8 | 0 | 0 | 0 | 112.3 | I62 R67 A68 | I62-L65 PolarHBondContact O-N 3.43Å; L65-R67 VanDerWaalsContact C-N 3.28Å; L65-R67 PolarHBondContact O-N 3.4Å; L65-A68 PolarHBondContact O-N 3.05Å |
| 66 | R | 52.7 | Low | 51.4 | Low | 201 Ų | 201 | 132.8 Ų | 132.8 | 76% | 0.758 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -67.1 | -22.7 | 178.2 | -105.1 | -173.6 | -178.2 | 158.5 | 2 | 115 | A68 | R66-A68 VanDerWaalsContact C-N 3.3Å |
| 67 | R | 52.2 | Low | 51.2 | Low | 231 Ų | 231 | 132.3 Ų | 132.3 | 87% | 0.872 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -10.1 | -178.3 | -130.7 | 178.2 | -165.3 | 143 | 1.6 | 113.5 | L65 | L65-R67 VanDerWaalsContact C-N 3.28Å; L65-R67 PolarHBondContact O-N 3.4Å |
| 68 | A | 53.7 | Low | 51.1 | Low | 78 Ų | 78 | 132.3 Ų | 132.3 | 65% | 0.645 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L65 R66 | L65-A68 PolarHBondContact O-N 3.05Å; R66-A68 VanDerWaalsContact C-N 3.3Å |
| 69 | E | 54.7 | Low | 51.1 | Low | 176 Ų | 176 | 130 Ų | 130 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -90.7 | 5.1 | -178 | -64.9 | -169.6 | 156.9 | 0 | 0 | 113.9 | ||
| 70 | G | 53.2 | Low | 51 | Low | 75 Ų | 75 | 124.6 Ų | 124.6 | 77% | 0.773 | 69% | 0.685 | S | S | * | * | trans | -104.5 | 11.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 71 | S | 49.8 | Very low | 51.2 | Low | 101 Ų | 101 | 128.1 Ų | 128.1 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -134.7 | 87.1 | -178.2 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 72 | E | 51.4 | Low | 51.4 | Low | 186 Ų | 186 | 131.3 Ų | 131.3 | 87% | 0.869 | 71% | 0.709 | S | S | * | * | trans | 32.2 | 149 | 138.8 | -78.8 | -90.9 | 128.1 | 0 | 0 | 121 | ||||
| 73 | P | 45.7 | Very low | 51.7 | Low | 85 Ų | 85 | 132.1 Ų | 132.1 | 55% | 0.552 | 71% | 0.711 | S | S | * | * | -110.2 | 131.8 | -120.7 | 36.4 | -29.1 | 0 | 0 | 0 | 111 | |||||
| 74 | Q | 39.8 | Very low | 52.1 | Low | 189 Ų | 189 | 133.4 Ų | 133.4 | 88% | 0.883 | 71% | 0.71 | S | S | * | * | trans | 174 | 131.6 | 147 | -98.2 | 151.1 | 82.2 | 0 | 0 | 111.3 | ||||
| 75 | A | 43.9 | Very low | 52.5 | Low | 93 Ų | 93 | 129 Ų | 129 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 65.7 | 68.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 76 | L | 49.7 | Very low | 53.1 | Low | 166 Ų | 166 | 127.4 Ų | 127.4 | 87% | 0.869 | 69% | 0.687 | S | S | * | * | trans | -162.3 | 70 | 147.7 | -97.1 | 151.4 | 0 | 0 | 0 | 107.3 | ||||
| 77 | L | 49.1 | Very low | 53.7 | Low | 156 Ų | 156 | 127 Ų | 127 | 82% | 0.817 | 69% | 0.685 | S | S | * | * | trans | -51 | 131.1 | 159.3 | -76.6 | 169 | 0 | 0 | 0 | 106.2 | V79 | L77-V79 VanDerWaalsContact C-N 3.31Å; L77-V79 PolarHBondContact O-N 2.97Å | ||
| 78 | P | 53.1 | Low | 54.2 | Low | 117 Ų | 117 | 122.2 Ų | 122.2 | 76% | 0.76 | 67% | 0.671 | S | S | * | * | trans | -58.1 | 106.1 | 175.1 | 24.5 | -31.3 | 0 | 0 | 0 | 105.6 | G80 | P78-G80 VanDerWaalsContact C-N 3.3Å; P78-G80 WeakPolarHBondContact O-CA 3.4Å; P78-G80 PolarHBondContact O-N 3.03Å | ||
| 79 | V | 55.8 | Low | 54.7 | Low | 85 Ų | 85 | 125.5 Ų | 125.5 | 52% | 0.515 | 67% | 0.671 | S | S | . | * | trans | -45.6 | 106.7 | 166.3 | 160.4 | 0 | 0 | 0 | 0 | 103.9 | L77 Q83 | L77-V79 VanDerWaalsContact C-N 3.31Å; L77-V79 PolarHBondContact O-N 2.97Å; V79-Q83 HydrophobicContact CG1-CB 3.64Å; V79-Q83 HydrophobicContact CG1-CG 3.79Å | ||
| 80 | G | 51.4 | Low | 55.3 | Low | 35 Ų | 35 | 125.1 Ų | 125.1 | 36% | 0.361 | 66% | 0.662 | S | S | . | * | trans | -49.2 | 148.2 | -161.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | P78 E82 Q83 H84 | P78-G80 VanDerWaalsContact C-N 3.3Å; P78-G80 WeakPolarHBondContact O-CA 3.4Å; P78-G80 PolarHBondContact O-N 3.03Å; G80-E82 CarbonylContact O-C 3.51Å; G80-E82 PolarHBondContact O-N 3.32Å; G80-Q83 PolarHBondContact O-N 2.98Å; G80-H84 PolarHBondContact O-N 3.3Å | ||
| 81 | T | 57.5 | Low | 56.1 | Low | 122 Ų | 122 | 123.5 Ų | 123.5 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -45.1 | -30 | 174.4 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | Q85 | T81-Q85 WeakPolarHBondContact O-CB 3.4Å; T81-Q85 PolarHBondContact O-N 3.02Å |
| 82 | E | 58.1 | Low | 57.2 | Low | 150 Ų | 150 | 124.2 Ų | 124.2 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62.2 | -47 | 170.9 | -60.1 | -168.2 | 154.8 | 0 | 0 | 115 | G80 H84 Q85 E86 | G80-E82 CarbonylContact O-C 3.51Å; G80-E82 PolarHBondContact O-N 3.32Å; E82-H84 VanDerWaalsContact C-N 3.32Å; E82-H84 PolarHBondContact O-N 3.43Å; E82-Q85 CarbonylContact O-C 3.57Å; E82-Q85 WeakPolarHBondContact O-CB 3.49Å; E82-Q85 PolarHBondContact O-N 2.88Å; E82-E86 WeakPolarHBondContact O-CG 3.03Å; E82-E86 PolarHBondContact O-N 2.98Å |
| 83 | Q | 60.1 | Low | 58.4 | Low | 109 Ų | 109 | 117.2 Ų | 117.2 | 51% | 0.509 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.8 | -29.6 | -179.1 | -167.5 | 174.1 | 14.9 | 0 | 0 | 111.5 | V79 G80 R87 | V79-Q83 HydrophobicContact CG1-CB 3.64Å; V79-Q83 HydrophobicContact CG1-CG 3.79Å; G80-Q83 PolarHBondContact O-N 2.98Å; Q83-R87 PolarHBondContact O-N 2.75Å; Q83-R87 VanDerWaalsContact O-N 3.09Å |
| 84 | H | 59.8 | Low | 59.9 | Low | 111 Ų | 111 | 120.8 Ų | 120.8 | 51% | 0.514 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.9 | -40.5 | 169.6 | -146.6 | -76.9 | 0 | 0 | 0 | 111.5 | G80 E82 E86 R87 F88 | G80-H84 PolarHBondContact O-N 3.3Å; E82-H84 VanDerWaalsContact C-N 3.32Å; E82-H84 PolarHBondContact O-N 3.43Å; H84-E86 VanDerWaalsContact C-N 3.34Å; H84-E86 PolarHBondContact O-N 3.46Å; H84-R87 PolarHBondContact O-N 3.29Å; H84-F88 AromaticContact CE1-CD2 3.79Å; H84-F88 AromaticContact CE1-CE2 3.49Å; H84-F88 VanDerWaalsContact CE1-CE2 3.49Å; H84-F88 WeakPolarHBondContact CE1-CE2 3.48Å; H84-F88 AromaticContact ND1-CD2 3.39Å; H84-F88 WeakPolarHBondContact ND1-CD2 3.49Å; H84-F88 AromaticContact ND1-CE2 3.51Å; H84-F88 WeakPolarHBondContact O-CB 3.44Å; H84-F88 PolarHBondContact O-N 3.48Å |
| 85 | Q | 60.1 | Low | 61.7 | Low | 113 Ų | 113 | 118.3 Ų | 118.3 | 53% | 0.528 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.2 | -40.8 | 171.6 | -97.4 | -166.4 | -0.5 | 0 | 0 | 112.1 | T81 E82 F88 K89 | T81-Q85 WeakPolarHBondContact O-CB 3.4Å; T81-Q85 PolarHBondContact O-N 3.02Å; E82-Q85 CarbonylContact O-C 3.57Å; E82-Q85 WeakPolarHBondContact O-CB 3.49Å; E82-Q85 PolarHBondContact O-N 2.88Å; Q85-F88 CarbonylContact O-C 3.59Å; Q85-F88 PolarHBondContact O-N 3.46Å; Q85-K89 WeakPolarHBondContact O-CB 3.48Å; Q85-K89 VanDerWaalsContact O-CG 3.3Å; Q85-K89 WeakPolarHBondContact O-CG 3.34Å; Q85-K89 PolarHBondContact O-N 2.86Å |
| 86 | E | 63.7 | Low | 63.3 | Low | 97 Ų | 97 | 117.2 Ų | 117.2 | 45% | 0.453 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.9 | -42.9 | 177.3 | -77.9 | -158.8 | -175 | 0 | 0 | 112.2 | E82 H84 F88 K89 R90 | E82-E86 WeakPolarHBondContact O-CG 3.03Å; E82-E86 PolarHBondContact O-N 2.98Å; H84-E86 VanDerWaalsContact C-N 3.34Å; H84-E86 PolarHBondContact O-N 3.46Å; E86-F88 VanDerWaalsContact C-N 3.3Å; E86-F88 PolarHBondContact O-N 3.44Å; E86-K89 PolarHBondContact O-N 3.08Å; E86-R90 WeakPolarHBondContact O-CB 3.37Å; E86-R90 VanDerWaalsContact O-CG 3.22Å; E86-R90 WeakPolarHBondContact O-CG 3.41Å; E86-R90 PolarHBondContact O-N 3.21Å; E86-R90 IonicContact OE2-CZ 3.63Å; E86-R90 IonicContact OE2-NE 3.89Å; E86-R90 IonicContact OE2-NH2 2.77Å; E86-R90 PolarHBondContact OE2-NH2 3.23Å |
| 87 | R | 65 | Low | 64.8 | Low | 193 Ų | 193 | 115.7 Ų | 115.7 | 73% | 0.728 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.8 | -41 | 172.9 | -86 | -173.2 | 176.2 | -170.1 | 1.2 | 111.3 | Q83 H84 R90 G91 | Q83-R87 PolarHBondContact O-N 2.75Å; Q83-R87 VanDerWaalsContact O-N 3.09Å; H84-R87 PolarHBondContact O-N 3.29Å; R87-R90 PolarHBondContact O-N 3.48Å; R87-G91 PolarHBondContact O-N 3.14Å |
| 88 | F | 61.8 | Low | 66.4 | Low | 130 Ų | 130 | 116.2 Ų | 116.2 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.4 | -47.3 | 173.8 | -103.9 | -78.4 | 0 | 0 | 0 | 111.9 | H84 Q85 E86 R90 G91 F92 | H84-F88 AromaticContact CE1-CD2 3.79Å; H84-F88 AromaticContact CE1-CE2 3.49Å; H84-F88 VanDerWaalsContact CE1-CE2 3.49Å; H84-F88 WeakPolarHBondContact CE1-CE2 3.48Å; H84-F88 AromaticContact ND1-CD2 3.39Å; H84-F88 WeakPolarHBondContact ND1-CD2 3.49Å; H84-F88 AromaticContact ND1-CE2 3.51Å; H84-F88 WeakPolarHBondContact O-CB 3.44Å; H84-F88 PolarHBondContact O-N 3.48Å; Q85-F88 CarbonylContact O-C 3.59Å; Q85-F88 PolarHBondContact O-N 3.46Å; E86-F88 VanDerWaalsContact C-N 3.3Å; E86-F88 PolarHBondContact O-N 3.44Å; F88-R90 PolarHBondContact O-N 3.41Å; F88-G91 PolarHBondContact O-N 3.41Å; F88-F92 WeakPolarHBondContact O-CA 3.48Å; F88-F92 WeakPolarHBondContact O-CB 3.22Å; F88-F92 PolarHBondContact O-N 3.27Å |
| 89 | K | 64.9 | Low | 67.7 | Low | 146 Ų | 146 | 115.8 Ų | 115.8 | 64% | 0.635 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.7 | -43.8 | 177.6 | -74.9 | 175.2 | -177.1 | 175.3 | 0 | 111.3 | Q85 E86 G93 | Q85-K89 WeakPolarHBondContact O-CB 3.48Å; Q85-K89 VanDerWaalsContact O-CG 3.3Å; Q85-K89 WeakPolarHBondContact O-CG 3.34Å; Q85-K89 PolarHBondContact O-N 2.86Å; E86-K89 PolarHBondContact O-N 3.08Å; K89-G93 PolarHBondContact O-N 3.2Å; K89-G93 VanDerWaalsContact O-N 3.08Å |
| 90 | R | 67.5 | Low | 68.7 | Low | 169 Ų | 169 | 119.1 Ų | 119.1 | 64% | 0.638 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.7 | -38.5 | 177.9 | -69 | 176.4 | -163.2 | -166.9 | 8.1 | 112.3 | E86 R87 F88 K94 | E86-R90 WeakPolarHBondContact O-CB 3.37Å; E86-R90 VanDerWaalsContact O-CG 3.22Å; E86-R90 WeakPolarHBondContact O-CG 3.41Å; E86-R90 PolarHBondContact O-N 3.21Å; E86-R90 IonicContact OE2-CZ 3.63Å; E86-R90 IonicContact OE2-NE 3.89Å; E86-R90 IonicContact OE2-NH2 2.77Å; E86-R90 PolarHBondContact OE2-NH2 3.23Å; R87-R90 PolarHBondContact O-N 3.48Å; F88-R90 PolarHBondContact O-N 3.41Å; R90-K94 WeakPolarHBondContact O-CG 3.42Å |
| 91 | G | 70.6 | Confident | 69.9 | Low | 40 Ų | 40 | 125.4 Ų | 125.4 | 41% | 0.412 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -77.1 | -47.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R87 F88 K94 W95 | R87-G91 PolarHBondContact O-N 3.14Å; F88-G91 PolarHBondContact O-N 3.41Å; G91-K94 PolarHBondContact O-N 3.06Å; G91-W95 PolarHBondContact O-N 2.87Å |
| 92 | F | 72 | Confident | 70.8 | Confident | 116 Ų | 116 | 122.8 Ų | 122.8 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.5 | -41.7 | -178 | -168.2 | -112.5 | 0 | 0 | 0 | 111.6 | F88 K94 W95 I96 | F88-F92 WeakPolarHBondContact O-CA 3.48Å; F88-F92 WeakPolarHBondContact O-CB 3.22Å; F88-F92 PolarHBondContact O-N 3.27Å; F92-K94 VanDerWaalsContact C-N 3.35Å; F92-K94 PolarHBondContact O-N 3.22Å; F92-W95 HydrophobicContact CD2-CE3 4.3Å; F92-W95 HydrophobicContact CE2-CE3 4.13Å; F92-W95 HydrophobicContact CE2-CZ3 4.09Å; F92-W95 PolarHBondContact O-N 2.99Å; F92-I96 HydrophobicContact CD1-CD1 3.45Å; F92-I96 VanDerWaalsContact CD1-CD1 3.45Å; F92-I96 HydrophobicContact CD1-CG1 4.31Å; F92-I96 HydrophobicContact CE1-CD1 3.18Å; F92-I96 HydrophobicContact CE1-CG1 4.15Å; F92-I96 HydrophobicContact CE2-CD1 4.45Å; F92-I96 HydrophobicContact CG-CD1 4.22Å; F92-I96 HydrophobicContact CZ-CD1 3.73Å; F92-I96 HydrophobicContact CZ-CG1 4.3Å; F92-I96 WeakPolarHBondContact O-CG1 3.46Å; F92-I96 PolarHBondContact O-N 3.45Å |
| 93 | G | 76.1 | Confident | 71.5 | Confident | 39 Ų | 39 | 119.8 Ų | 119.8 | 40% | 0.402 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K89 K97 | K89-G93 PolarHBondContact O-N 3.2Å; K89-G93 VanDerWaalsContact O-N 3.08Å; G93-K97 VanDerWaalsContact O-CB 3.29Å; G93-K97 WeakPolarHBondContact O-CB 3.37Å; G93-K97 PolarHBondContact O-N 2.95Å |
| 94 | K | 78.5 | Confident | 71.9 | Confident | 161 Ų | 161 | 121 Ų | 121 | 70% | 0.7 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.3 | -41.7 | 175.4 | -74.6 | -179.5 | -178.2 | -176.8 | 0 | 111.7 | R90 G91 F92 K97 K98 | R90-K94 WeakPolarHBondContact O-CG 3.42Å; G91-K94 PolarHBondContact O-N 3.06Å; F92-K94 VanDerWaalsContact C-N 3.35Å; F92-K94 PolarHBondContact O-N 3.22Å; K94-K97 PolarHBondContact O-N 3.23Å; K94-K98 WeakPolarHBondContact O-CB 3.45Å; K94-K98 PolarHBondContact O-N 2.97Å |
| 95 | W | 76.6 | Confident | 72.5 | Confident | 136 Ų | 136 | 124.5 Ų | 124.5 | 52% | 0.515 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.8 | -46.5 | 178.6 | -178.1 | 81.3 | 0 | 0 | 0 | 112.2 | G91 F92 K97 K98 K99 | G91-W95 PolarHBondContact O-N 2.87Å; F92-W95 HydrophobicContact CD2-CE3 4.3Å; F92-W95 HydrophobicContact CE2-CE3 4.13Å; F92-W95 HydrophobicContact CE2-CZ3 4.09Å; F92-W95 PolarHBondContact O-N 2.99Å; W95-K97 PolarHBondContact O-N 2.95Å; W95-K98 PolarHBondContact O-N 3.47Å; W95-K99 HydrophobicContact CH2-CD 3.92Å; W95-K99 HydrophobicContact CZ2-CD 3.79Å; W95-K99 VanDerWaalsContact CZ2-NZ 3.32Å; W95-K99 HydrophobicContact CZ3-CD 4.32Å; W95-K99 PolarHBondContact O-N 3.41Å |
| 96 | I | 78.5 | Confident | 72.8 | Confident | 70 Ų | 70 | 125.4 Ų | 125.4 | 36% | 0.359 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.8 | -48.5 | 174 | -69.5 | 170.4 | 0 | 0 | 0 | 110 | F92 K98 K99 W100 | F92-I96 HydrophobicContact CD1-CD1 3.45Å; F92-I96 VanDerWaalsContact CD1-CD1 3.45Å; F92-I96 HydrophobicContact CD1-CG1 4.31Å; F92-I96 HydrophobicContact CE1-CD1 3.18Å; F92-I96 HydrophobicContact CE1-CG1 4.15Å; F92-I96 HydrophobicContact CE2-CD1 4.45Å; F92-I96 HydrophobicContact CG-CD1 4.22Å; F92-I96 HydrophobicContact CZ-CD1 3.73Å; F92-I96 HydrophobicContact CZ-CG1 4.3Å; F92-I96 WeakPolarHBondContact O-CG1 3.46Å; F92-I96 PolarHBondContact O-N 3.45Å; I96-K98 VanDerWaalsContact C-N 3.26Å; I96-K98 PolarHBondContact O-N 2.8Å; I96-K99 PolarHBondContact O-N 3.13Å; I96-K99 VanDerWaalsContact O-N 3.13Å; I96-W100 WeakPolarHBondContact O-CB 3.29Å; I96-W100 PolarHBondContact O-N 3.28Å |
| 97 | K | 79.6 | Confident | 72.7 | Confident | 134 Ų | 134 | 126 Ų | 126 | 58% | 0.583 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.8 | -37.3 | -179.9 | -166 | 173.7 | -173.9 | 173.8 | 0 | 111.9 | G93 K94 W95 R101 | G93-K97 VanDerWaalsContact O-CB 3.29Å; G93-K97 WeakPolarHBondContact O-CB 3.37Å; G93-K97 PolarHBondContact O-N 2.95Å; K94-K97 PolarHBondContact O-N 3.23Å; W95-K97 PolarHBondContact O-N 2.95Å; K97-R101 WeakPolarHBondContact O-CG 3.39Å; K97-R101 PolarHBondContact O-N 3.14Å; K97-R101 VanDerWaalsContact O-N 3.14Å |
| 98 | K | 83.6 | Confident | 72.6 | Confident | 168 Ų | 168 | 121.5 Ų | 121.5 | 73% | 0.73 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.6 | -45.8 | 175 | -169.7 | 175.9 | -179.2 | 179.9 | 0 | 111.5 | K94 W95 I96 R101 S102 | K94-K98 WeakPolarHBondContact O-CB 3.45Å; K94-K98 PolarHBondContact O-N 2.97Å; W95-K98 PolarHBondContact O-N 3.47Å; I96-K98 VanDerWaalsContact C-N 3.26Å; I96-K98 PolarHBondContact O-N 2.8Å; K98-R101 PolarHBondContact O-N 3.02Å; K98-S102 PolarHBondContact O-N 2.95Å |
| 99 | K | 79.8 | Confident | 72.8 | Confident | 108 Ų | 108 | 125.1 Ų | 125.1 | 47% | 0.47 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62 | -44.1 | 174.7 | -84.8 | -161.5 | 169.7 | -171.9 | 0 | 112.3 | W95 I96 R101 S102 I103 | W95-K99 HydrophobicContact CH2-CD 3.92Å; W95-K99 HydrophobicContact CZ2-CD 3.79Å; W95-K99 VanDerWaalsContact CZ2-NZ 3.32Å; W95-K99 HydrophobicContact CZ3-CD 4.32Å; W95-K99 PolarHBondContact O-N 3.41Å; I96-K99 PolarHBondContact O-N 3.13Å; I96-K99 VanDerWaalsContact O-N 3.13Å; K99-R101 VanDerWaalsContact C-N 3.29Å; K99-R101 PolarHBondContact O-N 3.23Å; K99-S102 WeakPolarHBondContact O-CA 3.48Å; K99-S102 WeakPolarHBondContact O-CB 3.44Å; K99-S102 PolarHBondContact O-N 3.33Å; K99-I103 WeakPolarHBondContact O-CG1 3.41Å; K99-I103 PolarHBondContact O-N 3.02Å |
| 100 | W | 76.8 | Confident | 72.9 | Confident | 155 Ų | 155 | 125.9 Ų | 125.9 | 59% | 0.587 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.6 | -37.8 | 179.1 | -126.4 | 76.6 | 0 | 0 | 0 | 112.4 | I96 I103 K104 | I96-W100 WeakPolarHBondContact O-CB 3.29Å; I96-W100 PolarHBondContact O-N 3.28Å; W100-I103 PolarHBondContact O-N 3.45Å; W100-K104 HydrophobicContact CE3-CD 4.07Å; W100-K104 HydrophobicContact CE3-CG 4.23Å; W100-K104 HydrophobicContact CZ3-CD 4.19Å; W100-K104 HydrophobicContact CZ3-CG 4.45Å; W100-K104 WeakPolarHBondContact O-CB 3.44Å; W100-K104 WeakPolarHBondContact O-CG 3.48Å; W100-K104 PolarHBondContact O-N 3.39Å |
| 101 | R | 77 | Confident | 72.9 | Confident | 167 Ų | 167 | 123.3 Ų | 123.3 | 63% | 0.63 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.6 | -37.7 | 172.8 | -75.1 | 179.5 | 178.4 | -165.8 | -1.5 | 112.6 | K97 K98 K99 K105 | K97-R101 WeakPolarHBondContact O-CG 3.39Å; K97-R101 PolarHBondContact O-N 3.14Å; K97-R101 VanDerWaalsContact O-N 3.14Å; K98-R101 PolarHBondContact O-N 3.02Å; K99-R101 VanDerWaalsContact C-N 3.29Å; K99-R101 PolarHBondContact O-N 3.23Å; R101-K105 WeakPolarHBondContact O-CG 3.39Å; R101-K105 PolarHBondContact O-N 3.44Å |
| 102 | S | 76.2 | Confident | 72.8 | Confident | 67 Ų | 67 | 128.6 Ų | 128.6 | 47% | 0.469 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.9 | -44.3 | 175.8 | -161.6 | 0 | 0 | 0 | 0 | 111.5 | K98 K99 K105 I106 | K98-S102 PolarHBondContact O-N 2.95Å; K99-S102 WeakPolarHBondContact O-CA 3.48Å; K99-S102 WeakPolarHBondContact O-CB 3.44Å; K99-S102 PolarHBondContact O-N 3.33Å; S102-K105 WeakPolarHBondContact O-CB 3.33Å; S102-K105 PolarHBondContact O-N 3.01Å; S102-K105 VanDerWaalsContact O-N 3.13Å; S102-I106 PolarHBondContact O-N 2.93Å |
| 103 | I | 72.5 | Confident | 72.6 | Confident | 87 Ų | 87 | 128.2 Ų | 128.2 | 45% | 0.446 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.7 | -41.4 | 179 | -66.1 | 164.7 | 0 | 0 | 0 | 110.8 | K99 W100 K105 I106 L107 | K99-I103 WeakPolarHBondContact O-CG1 3.41Å; K99-I103 PolarHBondContact O-N 3.02Å; W100-I103 PolarHBondContact O-N 3.45Å; I103-K105 PolarHBondContact O-N 3.18Å; I103-I106 PolarHBondContact O-N 3.13Å; I103-L107 HydrophobicContact CG2-CD1 3.66Å; I103-L107 PolarHBondContact O-N 3.4Å |
| 104 | K | 69.5 | Low | 72.5 | Confident | 134 Ų | 134 | 133.3 Ų | 133.3 | 58% | 0.583 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -58.7 | -25.5 | 173.2 | -86 | -170.3 | 166.2 | 174.7 | 0 | 114.6 | W100 | W100-K104 HydrophobicContact CE3-CD 4.07Å; W100-K104 HydrophobicContact CE3-CG 4.23Å; W100-K104 HydrophobicContact CZ3-CD 4.19Å; W100-K104 HydrophobicContact CZ3-CG 4.45Å; W100-K104 WeakPolarHBondContact O-CB 3.44Å; W100-K104 WeakPolarHBondContact O-CG 3.48Å; W100-K104 PolarHBondContact O-N 3.39Å |
| 105 | K | 71.3 | Confident | 72.4 | Confident | 185 Ų | 185 | 131 Ų | 131 | 80% | 0.804 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78 | -27.9 | 175.7 | -71.1 | -178.7 | 176 | -168.5 | 0 | 112.5 | R101 S102 I103 | R101-K105 WeakPolarHBondContact O-CG 3.39Å; R101-K105 PolarHBondContact O-N 3.44Å; S102-K105 WeakPolarHBondContact O-CB 3.33Å; S102-K105 PolarHBondContact O-N 3.01Å; S102-K105 VanDerWaalsContact O-N 3.13Å; I103-K105 PolarHBondContact O-N 3.18Å |
| 106 | I | 67.1 | Low | 72.3 | Confident | 132 Ų | 132 | 135.1 Ų | 135.1 | 68% | 0.677 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -88 | -28.9 | -177.2 | -60.4 | 162.8 | 0 | 0 | 0 | 110.7 | S102 I103 P108 | S102-I106 PolarHBondContact O-N 2.93Å; I103-I106 PolarHBondContact O-N 3.13Å; I106-P108 VanDerWaalsContact O-CD 3.23Å; I106-P108 WeakPolarHBondContact O-CD 3.49Å |
| 107 | L | 60.8 | Low | 72.1 | Confident | 109 Ų | 109 | 141.3 Ų | 141.3 | 57% | 0.571 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -68.9 | 115.2 | 175.5 | -84.6 | 149.1 | 0 | 0 | 0 | 110.2 | I103 K109 | I103-L107 HydrophobicContact CG2-CD1 3.66Å; I103-L107 PolarHBondContact O-N 3.4Å; L107-K109 PolarHBondContact O-N 3.04Å |
| 108 | P | 63 | Low | 71.7 | Confident | 98 Ų | 98 | 143.3 Ų | 143.3 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | trans | -58.8 | 129.8 | 169.5 | 25.1 | -31.3 | 0 | 0 | 0 | 107.8 | I106 Q110 | I106-P108 VanDerWaalsContact O-CD 3.23Å; I106-P108 WeakPolarHBondContact O-CD 3.49Å; P108-Q110 PolarHBondContact O-N 3.49Å | ||
| 109 | K | 67.6 | Low | 70.9 | Confident | 206 Ų | 206 | 145.6 Ų | 145.6 | 90% | 0.896 | 68% | 0.683 | S | S | * | * | trans | -67.1 | 83.1 | 169.3 | -71.5 | -179.2 | -178.7 | 177.8 | 0 | 107.2 | L107 P111 | L107-K109 PolarHBondContact O-N 3.04Å; K109-P111 WeakPolarHBondContact O-CD 3.23Å | ||
| 110 | Q | 66.9 | Low | 70.2 | Confident | 162 Ų | 162 | 149.9 Ų | 149.9 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 125.9 | 169.7 | -71 | -170.3 | -13.2 | 0 | 0 | 107.1 | P108 I112 | P108-Q110 PolarHBondContact O-N 3.49Å; Q110-I112 PolarHBondContact O-N 3.31Å |
| 111 | P | 67.1 | Low | 70 | Confident | 116 Ų | 116 | 154.6 Ų | 154.6 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 124.9 | 171.4 | 24.8 | -30.6 | 0 | 0 | 0 | 107.4 | K109 P113 | K109-P111 WeakPolarHBondContact O-CD 3.23Å; P111-P113 WeakPolarHBondContact O-CD 3.48Å |
| 112 | I | 69.1 | Low | 69.7 | Low | 151 Ų | 151 | 154 Ų | 154 | 77% | 0.774 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 121.8 | 172.3 | -61 | 166.1 | 0 | 0 | 0 | 105.9 | Q110 I114 | Q110-I112 PolarHBondContact O-N 3.31Å; I112-I114 PolarHBondContact O-N 3.21Å |
| 113 | P | 67.1 | Low | 69.3 | Low | 107 Ų | 107 | 158.6 Ų | 158.6 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | trans | -64.1 | 113.7 | 177.7 | 24.8 | -31.1 | 0 | 0 | 0 | 108.1 | P111 I115 | P111-P113 WeakPolarHBondContact O-CD 3.48Å; P113-I115 PolarHBondContact O-N 3.26Å | ||
| 114 | I | 74.6 | Confident | 69.1 | Low | 146 Ų | 146 | 162.6 Ų | 162.6 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | trans | -72.1 | 100.3 | 171.6 | -60.1 | 172.5 | 0 | 0 | 0 | 105.9 | I112 R116 | I112-I114 PolarHBondContact O-N 3.21Å; I114-R116 HydrophobicContact CG2-CG 4.31Å; I114-R116 PolarHBondContact O-N 2.77Å | ||
| 115 | I | 76.3 | Confident | 69.1 | Low | 113 Ų | 113 | 164.2 Ų | 164.2 | 58% | 0.579 | 77% | 0.772 | S | S | * | * | trans | -68.8 | 105.5 | 173 | -56.2 | 174 | 0 | 0 | 0 | 106.9 | P113 Y117 | P113-I115 PolarHBondContact O-N 3.26Å; I115-Y117 HydrophobicContact CB-CE2 4.34Å; I115-Y117 HydrophobicContact CG2-CD1 4.24Å; I115-Y117 HydrophobicContact CG2-CD2 4.42Å; I115-Y117 HydrophobicContact CG2-CE1 3.71Å; I115-Y117 HydrophobicContact CG2-CE2 3.92Å | ||
| 116 | R | 73.9 | Confident | 69 | Low | 223 Ų | 223 | 162.9 Ų | 162.9 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | trans | -86 | 116.7 | 170.1 | -70.6 | -173.6 | 175.9 | -158.6 | -0.8 | 108.1 | I114 | I114-R116 HydrophobicContact CG2-CG 4.31Å; I114-R116 PolarHBondContact O-N 2.77Å | ||
| 117 | Y | 75.2 | Confident | 69.1 | Low | 199 Ų | 199 | 165 Ų | 165 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -86.6 | 109.3 | 169.4 | -55.6 | -83.2 | 0 | 0 | 0 | 107.9 | I115 R119 | I115-Y117 HydrophobicContact CB-CE2 4.34Å; I115-Y117 HydrophobicContact CG2-CD1 4.24Å; I115-Y117 HydrophobicContact CG2-CD2 4.42Å; I115-Y117 HydrophobicContact CG2-CE1 3.71Å; I115-Y117 HydrophobicContact CG2-CE2 3.92Å; Y117-R119 PolarHBondContact O-N 3.01Å | ||
| 118 | E | 70.5 | Confident | 69.7 | Low | 177 Ų | 177 | 169 Ų | 169 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -78.1 | 117.3 | 164.4 | -71.7 | -171.6 | 171.6 | 0 | 0 | 108.4 | K120 | E118-K120 PolarHBondContact O-N 3.06Š| ||
| 119 | R | 66.8 | Low | 70.2 | Confident | 216 Ų | 216 | 174.5 Ų | 174.5 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | -79.6 | 105.1 | 172.4 | -150.5 | -179.6 | -159.8 | -176.8 | 4.4 | 107 | Y117 F121 | Y117-R119 PolarHBondContact O-N 3.01Å; R119-F121 PolarHBondContact O-N 3.45Å | ||
| 120 | K | 65.1 | Low | 70.5 | Confident | 198 Ų | 198 | 171.8 Ų | 171.8 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -72.1 | 122.1 | 167.3 | -72.5 | -171 | 176.2 | -175.7 | 0 | 108.2 | E118 | E118-K120 PolarHBondContact O-N 3.06Š| ||
| 121 | F | 72.8 | Confident | 70.8 | Confident | 254 Ų | 254 | 172.7 Ų | 172.7 | 100% | 1.114 | 80% | 0.799 | S | S | * | * | trans | -82.8 | 0 | 167.2 | -76.4 | -86.1 | 0 | 0 | 0 | 110.1 | R119 | R119-F121 PolarHBondContact O-N 3.45Š|
Retrieved 121 of 121 residues in 208.5 ms
(Link to these results)