| 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 | 37.9 | Very low | 45.3 | Very low | 236 Ų | 236 | 127.2 Ų | 127.2 | 100% | 1.163 | 83% | 0.827 | S | S | * | * | 0 | 81.2 | 0 | -37.4 | 175.2 | -159.7 | 0 | 0 | 105.3 | |||||
| 2 | S | 39 | Very low | 46.6 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | 91.8 | 98.6 | 102.6 | -51.1 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 3 | A | 42.9 | Very low | 47.5 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -65.6 | 149.6 | 157 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 4 | P | 47.2 | Very low | 48.2 | Very low | 109 Ų | 109 | 119.9 Ų | 119.9 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -133.9 | 135.9 | 134.9 | 24.8 | -6.5 | 0 | 0 | 0 | 112.8 | ||||
| 5 | S | 47.4 | Very low | 48.8 | Very low | 125 Ų | 125 | 116.5 Ų | 116.5 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | 55.7 | 122.6 | 126.6 | -38.3 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 6 | G | 39.6 | Very low | 49.3 | Very low | 67 Ų | 67 | 120.2 Ų | 120.2 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | cis | 178.9 | 164.9 | 11.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | P8 | G6-P8 WeakPolarHBondContact O-CD 3.2Š| ||
| 7 | F | 41.7 | Very low | 49.9 | Very low | 214 Ų | 214 | 120.5 Ų | 120.5 | 94% | 0.939 | 75% | 0.754 | S | S | * | * | trans | -80.8 | 119.4 | 174.4 | -74.2 | -91 | 0 | 0 | 0 | 109.5 | ||||
| 8 | P | 44.1 | Very low | 50.2 | Low | 121 Ų | 121 | 120.4 Ų | 120.4 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | -75.4 | 133.1 | 157 | -3.1 | 22.8 | 0 | 0 | 0 | 107.7 | G6 | G6-P8 WeakPolarHBondContact O-CD 3.2Š| ||
| 9 | G | 53.6 | Low | 50.6 | Low | 59 Ų | 59 | 118.9 Ų | 118.9 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | trans | -61.3 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S11 | G9-S11 PolarHBondContact O-N 3.37Š| ||
| 10 | P | 47.2 | Very low | 51 | Low | 138 Ų | 138 | 117.9 Ų | 117.9 | 90% | 0.896 | 73% | 0.727 | S | S | * | * | trans | -61.7 | 112.4 | -178.7 | 25.6 | -31.9 | 0 | 0 | 0 | 109.8 | ||||
| 11 | S | 57.7 | Low | 51.2 | Low | 115 Ų | 115 | 114.5 Ų | 114.5 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 136.3 | 169.2 | 40.4 | 0 | 0 | 0 | 0 | 109.5 | G9 | G9-S11 PolarHBondContact O-N 3.37Š|
| 12 | A | 60.3 | Low | 51.8 | Low | 85 Ų | 85 | 109.2 Ų | 109.2 | 70% | 0.702 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 152.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 13 | P | 59.5 | Low | 52.4 | Low | 120 Ų | 120 | 111.8 Ų | 111.8 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 147.5 | 176.2 | 25.6 | -33.6 | 0 | 0 | 0 | 110.9 | ||
| 14 | P | 56.2 | Low | 52.8 | Low | 75 Ų | 75 | 112.9 Ų | 112.9 | 49% | 0.487 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -62 | 143.8 | -173.9 | 24.7 | -33.6 | 0 | 0 | 0 | 111.8 | E18 | P14-E18 HydrophobicContact CB-CB 4.03Å; P14-E18 HydrophobicContact CB-CG 4.3Å; P14-E18 VanDerWaalsContact CB-OE1 3.3Å; P14-E18 WeakPolarHBondContact CB-OE1 3.23Å |
| 15 | S | 57.3 | Low | 53.2 | Low | 69 Ų | 69 | 114.2 Ų | 114.2 | 48% | 0.483 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 151.8 | 174.5 | -172.4 | 0 | 0 | 0 | 0 | 110.4 | E17 E18 | S15-E17 PolarHBondContact O-N 3.31Å; S15-E18 WeakPolarHBondContact O-CB 3.3Å; S15-E18 PolarHBondContact O-N 3.39Å |
| 16 | Y | 57.3 | Low | 53.1 | Low | 175 Ų | 175 | 114.8 Ų | 114.8 | 69% | 0.686 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -52.1 | -28.5 | -174.9 | 68.3 | -85.9 | 0 | 0 | 0 | 113.9 | ||
| 17 | E | 59 | Low | 53.3 | Low | 125 Ų | 125 | 117.2 Ų | 117.2 | 58% | 0.584 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71 | -27.8 | 179.1 | -60.7 | -172.1 | 114.6 | 0 | 0 | 113.4 | S15 T20 G21 | S15-E17 PolarHBondContact O-N 3.31Å; E17-T20 PolarHBondContact O-N 3.14Å; E17-T20 PolarHBondContact O-OG1 3.05Å; E17-G21 PolarHBondContact O-N 3.12Å |
| 18 | E | 55.7 | Low | 53.6 | Low | 120 Ų | 120 | 114.2 Ų | 114.2 | 56% | 0.561 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -74.2 | -32.5 | -178.7 | -163.7 | -179.2 | 112.1 | 0 | 0 | 111.5 | P14 S15 T20 G21 I22 | P14-E18 HydrophobicContact CB-CB 4.03Å; P14-E18 HydrophobicContact CB-CG 4.3Å; P14-E18 VanDerWaalsContact CB-OE1 3.3Å; P14-E18 WeakPolarHBondContact CB-OE1 3.23Å; S15-E18 WeakPolarHBondContact O-CB 3.3Å; S15-E18 PolarHBondContact O-N 3.39Å; E18-T20 VanDerWaalsContact C-N 3.33Å; E18-T20 PolarHBondContact O-N 3.48Å; E18-G21 PolarHBondContact O-N 3.31Å; E18-I22 WeakPolarHBondContact O-CG1 3.32Å; E18-I22 PolarHBondContact O-N 3.13Å |
| 19 | T | 57.4 | Low | 53.6 | Low | 92 Ų | 92 | 114.4 Ų | 114.4 | 56% | 0.564 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.1 | -36.1 | 174.9 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | G21 | T19-G21 VanDerWaalsContact C-N 3.34Å |
| 20 | T | 58.8 | Low | 52.8 | Low | 98 Ų | 98 | 121.2 Ų | 121.2 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -72.1 | -25.7 | 177.2 | 40.2 | 0 | 0 | 0 | 0 | 113.5 | E17 E18 | E17-T20 PolarHBondContact O-N 3.14Å; E17-T20 PolarHBondContact O-OG1 3.05Å; E18-T20 VanDerWaalsContact C-N 3.33Å; E18-T20 PolarHBondContact O-N 3.48Å |
| 21 | G | 55.2 | Low | 52.5 | Low | 47 Ų | 47 | 120.6 Ų | 120.6 | 49% | 0.485 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -73.3 | -33.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E17 E18 T19 H23 V24 | E17-G21 PolarHBondContact O-N 3.12Å; E18-G21 PolarHBondContact O-N 3.31Å; T19-G21 VanDerWaalsContact C-N 3.34Å; G21-H23 VanDerWaalsContact C-N 3.34Å; G21-H23 PolarHBondContact O-N 3.36Å; G21-V24 PolarHBondContact O-N 2.97Å |
| 22 | I | 50.3 | Low | 52 | Low | 124 Ų | 124 | 121 Ų | 121 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -71.3 | -30.3 | -177.7 | -61.7 | 164.1 | 0 | 0 | 0 | 111.6 | E18 V24 | E18-I22 WeakPolarHBondContact O-CG1 3.32Å; E18-I22 PolarHBondContact O-N 3.13Å; I22-V24 PolarHBondContact O-N 2.89Å |
| 23 | H | 53.1 | Low | 51.2 | Low | 168 Ų | 168 | 122.8 Ų | 122.8 | 78% | 0.778 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 4.7 | -179.5 | -162.8 | -93.7 | 0 | 0 | 0 | 114.2 | G21 | G21-H23 VanDerWaalsContact C-N 3.34Å; G21-H23 PolarHBondContact O-N 3.36Å |
| 24 | V | 50.2 | Low | 50.3 | Low | 125 Ų | 125 | 125.6 Ų | 125.6 | 76% | 0.758 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -22.6 | 174.5 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | G21 I22 | G21-V24 PolarHBondContact O-N 2.97Å; I22-V24 PolarHBondContact O-N 2.89Å |
| 25 | N | 56.7 | Low | 49.6 | Very low | 137 Ų | 137 | 128 Ų | 128 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -94.1 | -9.2 | -168.1 | -163.5 | 45.8 | 0 | 0 | 0 | 116 | ||
| 26 | N | 44.7 | Very low | 49.1 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | -107.7 | 90.4 | 177.2 | -97.2 | -11.6 | 0 | 0 | 0 | 111.4 | H28 | N26-H28 PolarHBondContact O-N 3.18Å; N26-H28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | S | 43.7 | Very low | 48.2 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -66 | 93.4 | 169.4 | 53.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 28 | H | 47.9 | Very low | 47.5 | Very low | 152 Ų | 152 | 135 Ų | 135 | 70% | 0.704 | 74% | 0.742 | S | S | * | * | trans | -88.5 | 125.2 | 157.9 | -92.5 | -91 | 0 | 0 | 0 | 108.9 | N26 Y30 | N26-H28 PolarHBondContact O-N 3.18Å; N26-H28 VanDerWaalsContact O-N 3.08Å; H28-Y30 PolarHBondContact O-N 3.3Å | ||
| 29 | P | 42.9 | Very low | 46.8 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | -74.9 | 108.7 | -178.4 | 28 | -29.6 | 0 | 0 | 0 | 109.9 | ||||
| 30 | Y | 37.8 | Very low | 46.3 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -84 | 135.9 | 165.7 | -74.1 | -87.6 | 0 | 0 | 0 | 109.4 | H28 V32 | H28-Y30 PolarHBondContact O-N 3.3Å; Y30-V32 PolarHBondContact O-N 2.95Å |
| 31 | P | 41.2 | Very low | 45.4 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 117.7 | 172.9 | 28.1 | -28.7 | 0 | 0 | 0 | 110.1 | ||
| 32 | V | 47.3 | Very low | 44.7 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 133.4 | 172.6 | 162.7 | 0 | 0 | 0 | 0 | 109.7 | Y30 E34 | Y30-V32 PolarHBondContact O-N 2.95Å; V32-E34 PolarHBondContact O-N 3.04Å |
| 33 | P | 42.4 | Very low | 44.7 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -80.1 | 113.6 | 167.3 | -3.8 | 21.5 | 0 | 0 | 0 | 109.8 | ||||
| 34 | E | 41.3 | Very low | 44.3 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -84.6 | 140.2 | 178.1 | -156.3 | 177.3 | 108.4 | 0 | 0 | 111.5 | V32 G36 | V32-E34 PolarHBondContact O-N 3.04Å; E34-G36 PolarHBondContact O-N 2.86Å | ||
| 35 | P | 42.4 | Very low | 44.3 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | -83.5 | 105.6 | -179.3 | 3.9 | 14.2 | 0 | 0 | 0 | 112 | ||||
| 36 | G | 45.3 | Very low | 44 | Very low | 72 Ų | 72 | 140.2 Ų | 140.2 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 61.8 | 100.1 | 142 | 0 | 0 | 0 | 0 | 0 | 119.8 | E34 | E34-G36 PolarHBondContact O-N 2.86Š| ||
| 37 | Q | 38.3 | Very low | 44.6 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | trans | -144.3 | 123.9 | 144.2 | -94.7 | 177.5 | -19.1 | 0 | 0 | 110 | ||||
| 38 | R | 45.6 | Very low | 44.8 | Very low | 246 Ų | 246 | 139.1 Ų | 139.1 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | trans | -88.3 | 143.1 | 168 | -75.2 | -178.2 | 169.1 | -173.5 | -2.3 | 108.6 | ||||
| 39 | P | 41.4 | Very low | 44.7 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | -144.3 | 138.1 | 96.2 | 32.5 | -14.4 | 0 | 0 | 0 | 115.5 | |||||
| 40 | N | 45.3 | Very low | 45 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | 49.7 | 100.9 | 143.1 | -159 | 14.9 | 0 | 0 | 0 | 120.2 | ||||
| 41 | S | 40.5 | Very low | 45.9 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | -172.5 | 116.1 | 125.2 | 36 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 42 | K | 40.8 | Very low | 46.7 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | 36 | 99.5 | 142.9 | -63.8 | -169.7 | -90.4 | -175.2 | 0 | 119.4 | ||||
| 43 | G | 50.3 | Low | 47 | Very low | 84 Ų | 84 | 140 Ų | 140 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | 61.8 | 94.7 | 124 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 44 | A | 44.8 | Very low | 47.7 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -156.2 | 126.4 | 147.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 45 | N | 49.9 | Very low | 48.3 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 128.7 | 175.7 | -168.2 | -94.7 | 0 | 0 | 0 | 108.8 | ||
| 46 | P | 51.2 | Low | 49.3 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77 | 142.7 | 175.2 | 29.6 | -31.5 | 0 | 0 | 0 | 110.7 | ||
| 47 | P | 55.8 | Low | 49.9 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 151.4 | -177.3 | 26.4 | -33.8 | 0 | 0 | 0 | 112 | Y49 | P47-Y49 PolarHBondContact O-N 2.94Å; P47-Y49 VanDerWaalsContact O-N 3.12Å |
| 48 | P | 48.8 | Very low | 50.9 | Low | 122 Ų | 122 | 133.5 Ų | 133.5 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -67.7 | 113.9 | 177.9 | 27.5 | -31.5 | 0 | 0 | 0 | 109.2 | V50 | P48-V50 PolarHBondContact O-N 3Š| ||
| 49 | Y | 44.6 | Very low | 51.5 | Low | 202 Ų | 202 | 127.3 Ų | 127.3 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -71.3 | 120.7 | 174.5 | 49.2 | -85.7 | 0 | 0 | 0 | 109 | P47 V51 | P47-Y49 PolarHBondContact O-N 2.94Å; P47-Y49 VanDerWaalsContact O-N 3.12Å; Y49-V51 HydrophobicContact CD2-CG2 3.94Å; Y49-V51 HydrophobicContact CE2-CG2 4.15Å; Y49-V51 PolarHBondContact O-N 2.84Å | ||
| 50 | V | 50.8 | Low | 52.5 | Low | 138 Ų | 138 | 127.6 Ų | 127.6 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -76.3 | 112.9 | 169.2 | -170 | 0 | 0 | 0 | 0 | 106.6 | P48 Q52 | P48-V50 PolarHBondContact O-N 3Å; V50-Q52 PolarHBondContact O-N 3.46Å; V50-Q52 VanDerWaalsContact O-N 3.14Å | ||
| 51 | V | 56 | Low | 53.1 | Low | 115 Ų | 115 | 126 Ų | 126 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | trans | -71.2 | 107.1 | 174.1 | 174.3 | 0 | 0 | 0 | 0 | 108 | Y49 | Y49-V51 HydrophobicContact CD2-CG2 3.94Å; Y49-V51 HydrophobicContact CE2-CG2 4.15Å; Y49-V51 PolarHBondContact O-N 2.84Å | ||
| 52 | Q | 58.3 | Low | 54 | Low | 170 Ų | 170 | 126.4 Ų | 126.4 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 130.8 | 172.8 | -156.6 | 172.1 | 1.9 | 0 | 0 | 108.6 | V50 G54 | V50-Q52 PolarHBondContact O-N 3.46Å; V50-Q52 VanDerWaalsContact O-N 3.14Å; Q52-G54 PolarHBondContact O-N 3.31Å; Q52-G54 VanDerWaalsContact O-N 3.13Å |
| 53 | P | 53 | Low | 54.7 | Low | 121 Ų | 121 | 124.6 Ų | 124.6 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 116.6 | 175.5 | -17.2 | 29.3 | 0 | 0 | 0 | 109.5 | ||
| 54 | G | 58.4 | Low | 55.2 | Low | 61 Ų | 61 | 125.9 Ų | 125.9 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 148.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q52 T56 | Q52-G54 PolarHBondContact O-N 3.31Å; Q52-G54 VanDerWaalsContact O-N 3.13Å; G54-T56 PolarHBondContact O-N 3.38Å |
| 55 | P | 53.9 | Low | 56.1 | Low | 129 Ų | 129 | 126.4 Ų | 126.4 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 126.8 | 179.7 | 23.3 | -29.6 | 0 | 0 | 0 | 110.4 | ||
| 56 | T | 62.3 | Low | 56.3 | Low | 115 Ų | 115 | 127.7 Ų | 127.7 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 130 | 171.7 | 34.5 | 0 | 0 | 0 | 0 | 110.2 | G54 N58 | G54-T56 PolarHBondContact O-N 3.38Å; T56-N58 PolarHBondContact O-N 3.49Å |
| 57 | P | 58.4 | Low | 56.6 | Low | 123 Ų | 123 | 128.5 Ų | 128.5 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | trans | -68.5 | 109.8 | 172.5 | 26.2 | -28.8 | 0 | 0 | 0 | 108.1 | ||||
| 58 | N | 59.6 | Low | 56.7 | Low | 133 Ų | 133 | 128.4 Ų | 128.4 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | -57.2 | 127 | 169.6 | -61.9 | -22.4 | 0 | 0 | 0 | 107.7 | T56 V60 | T56-N58 PolarHBondContact O-N 3.49Å; N58-V60 PolarHBondContact O-N 3.01Å | ||
| 59 | P | 56.8 | Low | 57.1 | Low | 117 Ų | 117 | 130.1 Ų | 130.1 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | trans | -63.2 | 111.3 | 173.2 | 25.3 | -31.3 | 0 | 0 | 0 | 107.7 | T61 | P59-T61 VanDerWaalsContact C-N 3.34Å; P59-T61 PolarHBondContact O-N 2.79Å | ||
| 60 | V | 62.5 | Low | 57.8 | Low | 130 Ų | 130 | 126 Ų | 126 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | trans | -62.5 | 99.4 | 171.8 | 178.3 | 0 | 0 | 0 | 0 | 106.6 | N58 V62 | N58-V60 PolarHBondContact O-N 3.01Å; V60-V62 VanDerWaalsContact C-N 3.33Å; V60-V62 HydrophobicContact CG1-CG2 4.45Å; V60-V62 PolarHBondContact O-N 3.08Å | ||
| 61 | T | 58.1 | Low | 58.5 | Low | 113 Ų | 113 | 121.6 Ų | 121.6 | 69% | 0.693 | 70% | 0.7 | S | S | * | * | trans | -69.6 | 95.5 | 171.8 | 51.7 | 0 | 0 | 0 | 0 | 107.4 | P59 Q63 | P59-T61 VanDerWaalsContact C-N 3.34Å; P59-T61 PolarHBondContact O-N 2.79Å; T61-Q63 VanDerWaalsContact C-N 3.25Å; T61-Q63 PolarHBondContact O-N 2.82Å | ||
| 62 | V | 59.4 | Low | 59.1 | Low | 116 Ų | 116 | 119.9 Ų | 119.9 | 70% | 0.703 | 69% | 0.69 | S | S | * | * | trans | -64 | 93 | 167.3 | -179.1 | 0 | 0 | 0 | 0 | 106.5 | V60 T64 | V60-V62 VanDerWaalsContact C-N 3.33Å; V60-V62 HydrophobicContact CG1-CG2 4.45Å; V60-V62 PolarHBondContact O-N 3.08Å; V62-T64 VanDerWaalsContact C-N 3.32Å; V62-T64 PolarHBondContact O-N 2.91Å | ||
| 63 | Q | 56.7 | Low | 59.8 | Low | 164 Ų | 164 | 113.6 Ų | 113.6 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | trans | -67.9 | 100.3 | 163.7 | -78.4 | -168.3 | 29.3 | 0 | 0 | 106.1 | T61 V65 | T61-Q63 VanDerWaalsContact C-N 3.25Å; T61-Q63 PolarHBondContact O-N 2.82Å; Q63-V65 PolarHBondContact O-N 2.87Å | ||
| 64 | T | 59.8 | Low | 60.8 | Low | 110 Ų | 110 | 113.7 Ų | 113.7 | 68% | 0.675 | 65% | 0.646 | S | S | * | * | trans | -64.4 | 89.5 | 168.9 | -43.2 | 0 | 0 | 0 | 0 | 107.3 | V62 Y66 | V62-T64 VanDerWaalsContact C-N 3.32Å; V62-T64 PolarHBondContact O-N 2.91Å; T64-Y66 VanDerWaalsContact C-N 3.3Å; T64-Y66 HydrophobicContact CG2-CD2 4.41Å; T64-Y66 PolarHBondContact O-N 2.93Å | ||
| 65 | V | 64.5 | Low | 61.4 | Low | 112 Ų | 112 | 113.4 Ų | 113.4 | 68% | 0.679 | 63% | 0.63 | S | S | * | * | trans | -67.1 | 97.1 | 169.1 | 179 | 0 | 0 | 0 | 0 | 105.6 | Q63 V67 | Q63-V65 PolarHBondContact O-N 2.87Å; V65-V67 VanDerWaalsContact C-N 3.28Å; V65-V67 PolarHBondContact O-N 2.79Å | ||
| 66 | Y | 53.4 | Low | 62.7 | Low | 180 Ų | 180 | 115.6 Ų | 115.6 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | trans | -63.2 | 98.6 | 167.3 | -115 | -91.4 | 0 | 0 | 0 | 106.2 | T64 Q68 | T64-Y66 VanDerWaalsContact C-N 3.3Å; T64-Y66 HydrophobicContact CG2-CD2 4.41Å; T64-Y66 PolarHBondContact O-N 2.93Å; Y66-Q68 VanDerWaalsContact C-N 3.29Å; Y66-Q68 PolarHBondContact O-N 3.46Å | ||
| 67 | V | 57 | Low | 63.7 | Low | 119 Ų | 119 | 113.7 Ų | 113.7 | 72% | 0.721 | 61% | 0.611 | S | S | * | * | trans | -59.7 | 102.2 | 165 | -179.4 | 0 | 0 | 0 | 0 | 104.4 | V65 Q69 | V65-V67 VanDerWaalsContact C-N 3.28Å; V65-V67 PolarHBondContact O-N 2.79Å; V67-Q69 PolarHBondContact O-N 2.88Å | ||
| 68 | Q | 58.4 | Low | 64.9 | Low | 106 Ų | 106 | 109.4 Ų | 109.4 | 50% | 0.495 | 58% | 0.583 | S | S | . | * | trans | -62.1 | 96.7 | 170.4 | -78.9 | -152.2 | 95.8 | 0 | 0 | 106 | Y66 | Y66-Q68 VanDerWaalsContact C-N 3.29Å; Y66-Q68 PolarHBondContact O-N 3.46Å | ||
| 69 | Q | 57.8 | Low | 66.2 | Low | 158 Ų | 158 | 109.6 Ų | 109.6 | 74% | 0.738 | 58% | 0.579 | S | S | * | * | trans | -50.3 | 138 | 165.8 | -133.2 | 137.2 | 7.7 | 0 | 0 | 106.6 | V67 V71 | V67-Q69 PolarHBondContact O-N 2.88Å; Q69-V71 VanDerWaalsContact C-N 3.34Å; Q69-V71 WeakPolarHBondContact O-CG2 3.48Å; Q69-V71 PolarHBondContact O-N 3.28Å | ||
| 70 | P | 58.6 | Low | 67.5 | Low | 117 Ų | 117 | 104.7 Ų | 104.7 | 76% | 0.76 | 55% | 0.546 | S | S | * | . | trans | -57.1 | 102.8 | 179 | 23.1 | -32.3 | 0 | 0 | 0 | 107.9 | V72 | P70-V72 PolarHBondContact O-N 2.79Š| ||
| 71 | V | 65.1 | Low | 68.6 | Low | 44 Ų | 44 | 100.6 Ų | 100.6 | 27% | 0.267 | 52% | 0.523 | S | S | . | . | trans | -70.4 | 106.4 | -179.3 | -178 | 0 | 0 | 0 | 0 | 105.2 | Q69 F73 V78 M80 | Q69-V71 VanDerWaalsContact C-N 3.34Å; Q69-V71 WeakPolarHBondContact O-CG2 3.48Å; Q69-V71 PolarHBondContact O-N 3.28Å; V71-F73 HydrophobicContact CB-CZ 4.28Å; V71-F73 HydrophobicContact CG1-CE1 4.15Å; V71-F73 HydrophobicContact CG1-CZ 4.25Å; V71-F73 WeakPolarHBondContact O-CD2 3.21Å; V71-F73 WeakPolarHBondContact O-CE2 3.35Å; V71-F73 PolarHBondContact O-N 2.97Å; V71-V78 HydrophobicContact CG1-CB 4.36Å; V71-V78 HydrophobicContact CG1-CG1 3.7Å; V71-M80 HydrophobicContact CG1-SD 4.19Å; V71-M80 HydrophobicContact CG2-CB 4.35Å; V71-M80 HydrophobicContact CG2-CE 4.4Å; V71-M80 HydrophobicContact CG2-SD 4.45Å | ||
| 72 | V | 68.4 | Low | 70 | Confident | 80 Ų | 80 | 95.2 Ų | 95.2 | 49% | 0.485 | 49% | 0.49 | S | S | . | . | trans | -72.7 | 111.2 | 173.5 | -171.8 | 0 | 0 | 0 | 0 | 106.3 | P70 Y74 | P70-V72 PolarHBondContact O-N 2.79Å; V72-Y74 HydrophobicContact CB-CD2 4.42Å; V72-Y74 HydrophobicContact CB-CE2 3.64Å; V72-Y74 HydrophobicContact CG1-CD1 4.39Å; V72-Y74 HydrophobicContact CG1-CD2 4.36Å; V72-Y74 HydrophobicContact CG1-CE1 3.75Å; V72-Y74 HydrophobicContact CG1-CE2 3.72Å; V72-Y74 WeakPolarHBondContact CG1-OH 3.09Å; V72-Y74 WeakPolarHBondContact O-CD2 3.06Å; V72-Y74 VanDerWaalsContact O-CE2 3.28Å; V72-Y74 WeakPolarHBondContact O-CE2 3.27Å | ||
| 73 | F | 74.5 | Confident | 71.2 | Confident | 37 Ų | 37 | 93.1 Ų | 93.1 | 16% | 0.162 | 48% | 0.479 | C | S | . | . | trans | -73 | 136.5 | 172.7 | -63.7 | -75 | 0 | 0 | 0 | 108.7 | V71 M80 H132 V141 Y144 | V71-F73 HydrophobicContact CB-CZ 4.28Å; V71-F73 HydrophobicContact CG1-CE1 4.15Å; V71-F73 HydrophobicContact CG1-CZ 4.25Å; V71-F73 WeakPolarHBondContact O-CD2 3.21Å; V71-F73 WeakPolarHBondContact O-CE2 3.35Å; V71-F73 PolarHBondContact O-N 2.97Å; F73-M80 HydrophobicContact CE1-SD 3.79Å; F73-M80 HydrophobicContact CZ-CE 4.49Å; F73-M80 HydrophobicContact CZ-SD 3.96Å; F73-H132 HydrophobicContact CD1-CB 4.06Å; F73-H132 AromaticContact CD1-CD2 3.67Å; F73-H132 AromaticContact CD1-CE1 3.85Å; F73-H132 AromaticContact CD1-CG 3.57Å; F73-H132 AromaticContact CD1-ND1 3.69Å; F73-H132 AromaticContact CD1-NE2 3.86Å; F73-H132 HydrophobicContact CE1-CB 4.19Å; F73-V141 HydrophobicContact CE1-CB 4.49Å; F73-V141 HydrophobicContact CE1-CG1 3.86Å; F73-V141 HydrophobicContact CZ-CG1 3.68Å; F73-Y144 WeakPolarHBondContact O-CD2 3.35Å | ||
| 74 | Y | 72.9 | Confident | 72.7 | Confident | 124 Ų | 124 | 89 Ų | 89 | 49% | 0.486 | 47% | 0.468 | S | S | . | . | trans | -128.3 | -172 | -178.9 | -66.8 | -76.4 | 0 | 0 | 0 | 109.3 | V72 R76 H132 | V72-Y74 HydrophobicContact CB-CD2 4.42Å; V72-Y74 HydrophobicContact CB-CE2 3.64Å; V72-Y74 HydrophobicContact CG1-CD1 4.39Å; V72-Y74 HydrophobicContact CG1-CD2 4.36Å; V72-Y74 HydrophobicContact CG1-CE1 3.75Å; V72-Y74 HydrophobicContact CG1-CE2 3.72Å; V72-Y74 WeakPolarHBondContact CG1-OH 3.09Å; V72-Y74 WeakPolarHBondContact O-CD2 3.06Å; V72-Y74 VanDerWaalsContact O-CE2 3.28Å; V72-Y74 WeakPolarHBondContact O-CE2 3.27Å; Y74-R76 PolarHBondContact O-N 3.43Å; Y74-H132 PolarHBondContact O-NE2 3.43Å; Y74-H132 VanDerWaalsContact O-NE2 3.15Å | ||
| 75 | D | 71.9 | Confident | 74 | Confident | 54 Ų | 54 | 85.4 Ų | 85.4 | 29% | 0.289 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -70.6 | 5.8 | 173.2 | 70.5 | -42.1 | 0 | 0 | 0 | 114.4 | L93 Y95 | D75-L93 WeakPolarHBondContact O-CD1 3.45Å; D75-Y95 PolarHBondContact O-OH 3.46Å; D75-Y95 VanDerWaalsContact O-OH 3.12Å |
| 76 | R | 80.4 | Confident | 75.1 | Confident | 175 Ų | 175 | 86.1 Ų | 86.1 | 66% | 0.66 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -127.8 | 149.5 | -171.5 | -68.8 | 177.9 | -167.4 | -133.9 | 0.6 | 112 | Y74 V78 H132 | Y74-R76 PolarHBondContact O-N 3.43Å; R76-V78 PolarHBondContact O-N 3.37Å; R76-H132 PolarHBondContact O-CE1 3.46Å |
| 77 | P | 82.5 | Confident | 76.6 | Confident | 75 Ų | 75 | 83 Ų | 83 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 126.7 | 178.2 | 28.3 | -34.5 | 0 | 0 | 0 | 109.8 | V90 T91 L93 | P77-V90 HydrophobicContact CB-CG1 3.72Å; P77-V90 HydrophobicContact CG-CG1 4.45Å; P77-T91 WeakPolarHBondContact CB-O 3.24Å; P77-L93 HydrophobicContact CB-CG 4.41Å |
| 78 | V | 84.1 | Confident | 78.2 | Confident | 34 Ų | 34 | 83 Ų | 83 | 21% | 0.206 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 136.7 | 179.9 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | V71 R76 T91 | V71-V78 HydrophobicContact CG1-CB 4.36Å; V71-V78 HydrophobicContact CG1-CG1 3.7Å; R76-V78 PolarHBondContact O-N 3.37Å; V78-T91 PolarHBondContact N-OG1 3.29Å; V78-T91 PolarHBondContact O-N 3.3Å; V78-T91 PolarHBondContact O-OG1 3.44Å; V78-T91 VanDerWaalsContact O-OG1 3.13Å |
| 79 | Q | 87 | Confident | 79.6 | Confident | 136 Ų | 136 | 78.3 Ų | 78.3 | 64% | 0.636 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 121.5 | 170.2 | -171.3 | 178.8 | 28.7 | 0 | 0 | 109.3 | M88 I89 V90 | Q79-M88 HydrophobicContact CG-CG 4.15Å; Q79-I89 CarbonylContact C-O 3.58Å; Q79-I89 VanDerWaalsContact CA-O 3.3Å; Q79-I89 WeakPolarHBondContact CA-O 3.43Å; Q79-V90 HydrophobicContact CB-CG2 4.34Å; Q79-V90 HydrophobicContact CG-CG2 4.37Å |
| 80 | M | 84.1 | Confident | 81.1 | Confident | 15 Ų | 15 | 74.6 Ų | 74.6 | 7% | 0.074 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 166 | 179.5 | 62.3 | 177.1 | -74.4 | 0 | 0 | 111.3 | V71 F73 I89 T91 V141 | V71-M80 HydrophobicContact CG1-SD 4.19Å; V71-M80 HydrophobicContact CG2-CB 4.35Å; V71-M80 HydrophobicContact CG2-CE 4.4Å; V71-M80 HydrophobicContact CG2-SD 4.45Å; F73-M80 HydrophobicContact CE1-SD 3.79Å; F73-M80 HydrophobicContact CZ-CE 4.49Å; F73-M80 HydrophobicContact CZ-SD 3.96Å; M80-I89 HydrophobicContact CG-CD1 4.05Å; M80-I89 PolarHBondContact N-O 2.88Å; M80-I89 PolarHBondContact O-N 2.78Å; M80-I89 VanDerWaalsContact O-O 3.09Å; M80-T91 HydrophobicContact CG-CG2 4.12Å; M80-T91 HydrophobicContact SD-CG2 4.01Å; M80-V141 HydrophobicContact CE-CG1 3.46Å; M80-V141 VanDerWaalsContact CE-CG1 3.46Å; M80-V141 HydrophobicContact SD-CG1 3.43Å; M80-V141 WeakPolarHBondContact SD-CG1 3.48Å |
| 81 | C | 86.8 | Confident | 82.6 | Confident | 44 Ų | 44 | 69.2 Ų | 69.2 | 30% | 0.297 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.9 | 168.5 | -166.2 | 0 | 0 | 0 | 0 | 109.2 | ||
| 82 | C | 86.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | trans | -69.9 | 126.8 | 177.8 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | S84 C85 N86 K87 I89 C134 C137 | C82-S84 PolarHBondContact O-N 3.02Å; C82-S84 PolarHBondContact SG-N 3.13Å; C82-C85 VanDerWaalsContact CB-SG 3.53Å; C82-C85 PolarHBondContact O-N 3.3Å; C82-C85 VanDerWaalsContact SG-SG 3.67Å; C82-N86 VanDerWaalsContact O-CA 3.23Å; C82-N86 WeakPolarHBondContact O-CA 3.47Å; C82-N86 PolarHBondContact O-N 3.04Å; C82-K87 PolarHBondContact N-O 3.05Å; C82-I89 HydrophobicContact CB-CG1 3.86Å; C82-C134 VanDerWaalsContact SG-SG 3.61Å; C82-C137 VanDerWaalsContact SG-SG 3.67Å | ||
| 83 | P | 84.5 | Confident | 84.6 | Confident | 71 Ų | 71 | 70 Ų | 70 | 46% | 0.461 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -23.2 | 179.6 | 27.6 | -35.4 | 0 | 0 | 0 | 113.1 | ||
| 84 | S | 88.4 | Confident | 85.1 | Confident | 77 Ų | 77 | 70.4 Ų | 70.4 | 54% | 0.538 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -35.6 | -179.1 | -49.5 | 0 | 0 | 0 | 0 | 113.2 | C82 A139 | C82-S84 PolarHBondContact O-N 3.02Å; C82-S84 PolarHBondContact SG-N 3.13Å; S84-A139 VanDerWaalsContact OG-CB 3.27Å; S84-A139 WeakPolarHBondContact OG-CB 3.26Å |
| 85 | C | 87.6 | Confident | 85.5 | Confident | 35 Ų | 35 | 69 Ų | 69 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -1.6 | -175.4 | 72.7 | 0 | 0 | 0 | 0 | 114.7 | C82 K87 C137 | C82-C85 VanDerWaalsContact CB-SG 3.53Å; C82-C85 PolarHBondContact O-N 3.3Å; C82-C85 VanDerWaalsContact SG-SG 3.67Å; C85-K87 PolarHBondContact O-N 2.88Å; C85-C137 HydrophobicContact CB-CB 4.28Å |
| 86 | N | 86.6 | Confident | 85.6 | Confident | 127 Ų | 127 | 69.9 Ų | 69.9 | 68% | 0.679 | 37% | 0.367 | S | S | * | . | trans | 52.7 | 25.7 | 180 | -62.7 | -66.6 | 0 | 0 | 0 | 114.7 | C82 | C82-N86 VanDerWaalsContact O-CA 3.23Å; C82-N86 WeakPolarHBondContact O-CA 3.47Å; C82-N86 PolarHBondContact O-N 3.04Å | ||
| 87 | K | 85.9 | Confident | 85 | Confident | 115 Ų | 115 | 64.8 Ų | 64.8 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | trans | -100.5 | 143.7 | 175.4 | -65.4 | -178.2 | -177 | -177.3 | 0 | 109.2 | C82 C85 I89 | C82-K87 PolarHBondContact N-O 3.05Å; C85-K87 PolarHBondContact O-N 2.88Å; K87-I89 HydrophobicContact CB-CG2 4.16Å; K87-I89 PolarHBondContact O-N 2.88Å | ||
| 88 | M | 88.9 | Confident | 84.4 | Confident | 120 Ų | 120 | 62.9 Ų | 62.9 | 59% | 0.591 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 117.4 | 167.9 | -172.4 | 155.7 | -75.6 | 0 | 0 | 108.8 | Q79 | Q79-M88 HydrophobicContact CG-CG 4.15Å |
| 89 | I | 88.4 | Confident | 83.6 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 158.2 | -175.8 | 60.8 | 79.5 | 0 | 0 | 0 | 110.9 | Q79 M80 C82 K87 T91 P135 N136 | Q79-I89 CarbonylContact C-O 3.58Å; Q79-I89 VanDerWaalsContact CA-O 3.3Å; Q79-I89 WeakPolarHBondContact CA-O 3.43Å; M80-I89 HydrophobicContact CG-CD1 4.05Å; M80-I89 PolarHBondContact N-O 2.88Å; M80-I89 PolarHBondContact O-N 2.78Å; M80-I89 VanDerWaalsContact O-O 3.09Å; C82-I89 HydrophobicContact CB-CG1 3.86Å; K87-I89 HydrophobicContact CB-CG2 4.16Å; K87-I89 PolarHBondContact O-N 2.88Å; I89-T91 HydrophobicContact CD1-CG2 3.54Å; I89-P135 HydrophobicContact CB-CG 4.14Å; I89-P135 HydrophobicContact CG2-CG 4.39Å; I89-N136 WeakPolarHBondContact CG2-ND2 3.04Å |
| 90 | V | 90 | Very high | 82.7 | Confident | 80 Ų | 80 | 63.1 Ų | 63.1 | 49% | 0.485 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.7 | 162.4 | 177.6 | 0 | 0 | 0 | 0 | 106.3 | P77 Q79 P135 | P77-V90 HydrophobicContact CB-CG1 3.72Å; P77-V90 HydrophobicContact CG-CG1 4.45Å; Q79-V90 HydrophobicContact CB-CG2 4.34Å; Q79-V90 HydrophobicContact CG-CG2 4.37Å; V90-P135 VanDerWaalsContact O-CD 3.32Å; V90-P135 WeakPolarHBondContact O-CD 3.32Å; V90-P135 WeakPolarHBondContact O-CG 3.49Å |
| 91 | T | 89.9 | Confident | 82.1 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 3% | 0.025 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 141 | -178 | 47.1 | 0 | 0 | 0 | 0 | 111.2 | P77 V78 M80 I89 H132 V141 | P77-T91 WeakPolarHBondContact CB-O 3.24Å; V78-T91 PolarHBondContact N-OG1 3.29Å; V78-T91 PolarHBondContact O-N 3.3Å; V78-T91 PolarHBondContact O-OG1 3.44Å; V78-T91 VanDerWaalsContact O-OG1 3.13Å; M80-T91 HydrophobicContact CG-CG2 4.12Å; M80-T91 HydrophobicContact SD-CG2 4.01Å; I89-T91 HydrophobicContact CD1-CG2 3.54Å; T91-H132 HydrophobicContact CG2-CB 4.14Å; T91-H132 PolarHBondContact OG1-ND1 2.82Å; T91-V141 HydrophobicContact CG2-CB 4.47Å; T91-V141 HydrophobicContact CG2-CG1 4.41Å; T91-V141 HydrophobicContact CG2-CG2 4.27Å |
| 92 | H | 88.9 | Confident | 81.5 | Confident | 117 Ų | 117 | 70.2 Ų | 70.2 | 54% | 0.542 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 131.8 | 170.9 | -178.8 | -82.2 | 0 | 0 | 0 | 109.3 | H132 F133 | H92-H132 WeakPolarHBondContact O-CA 3.46Å; H92-F133 PolarHBondContact N-O 2.86Å; H92-F133 PolarHBondContact O-N 2.93Å |
| 93 | L | 87.6 | Confident | 81 | Confident | 23 Ų | 23 | 76.2 Ų | 76.2 | 12% | 0.12 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 129.3 | 179.5 | -54.6 | -177.8 | 0 | 0 | 0 | 110.6 | D75 P77 Y95 V130 D131 H132 | D75-L93 WeakPolarHBondContact O-CD1 3.45Å; P77-L93 HydrophobicContact CB-CG 4.41Å; L93-Y95 HydrophobicContact CB-CE2 3.97Å; L93-Y95 HydrophobicContact CD1-CE2 4.35Å; L93-Y95 WeakPolarHBondContact CD1-OH 3.13Å; L93-V130 HydrophobicContact CB-CG1 4.17Å; L93-V130 HydrophobicContact CD1-CG1 4.3Å; L93-V130 HydrophobicContact CD2-CG1 3.72Å; L93-V130 HydrophobicContact CG-CG1 4.29Å; L93-D131 CarbonylContact C-O 3.51Å; L93-D131 WeakPolarHBondContact CA-O 3.36Å; L93-H132 WeakPolarHBondContact CD2-CE1 3.45Å; L93-H132 WeakPolarHBondContact CD2-ND1 3.3Å |
| 94 | S | 83.8 | Confident | 80.5 | Confident | 47 Ų | 47 | 75 Ų | 75 | 33% | 0.329 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.3 | 166.4 | -170.5 | 0 | 0 | 0 | 0 | 108.6 | D131 | S94-D131 PolarHBondContact N-O 3.44Å; S94-D131 PolarHBondContact O-N 3.47Å |
| 95 | Y | 81.8 | Confident | 79.7 | Confident | 93 Ų | 93 | 73.5 Ų | 73.5 | 37% | 0.365 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 118.7 | 177 | -61.4 | -81.8 | 0 | 0 | 0 | 109.1 | D75 L93 R128 V130 | D75-Y95 PolarHBondContact O-OH 3.46Å; D75-Y95 VanDerWaalsContact O-OH 3.12Å; L93-Y95 HydrophobicContact CB-CE2 3.97Å; L93-Y95 HydrophobicContact CD1-CE2 4.35Å; L93-Y95 WeakPolarHBondContact CD1-OH 3.13Å; Y95-R128 HydrophobicContact CD1-CG 4.14Å; Y95-V130 HydrophobicContact CD1-CG1 4.42Å; Y95-V130 HydrophobicContact CD1-CG2 3.8Å; Y95-V130 HydrophobicContact CE1-CB 4.44Å; Y95-V130 HydrophobicContact CE1-CG1 4.05Å; Y95-V130 HydrophobicContact CE1-CG2 3.63Å |
| 96 | T | 73.4 | Confident | 79.2 | Confident | 74 Ų | 74 | 73.4 Ų | 73.4 | 45% | 0.454 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 110.2 | 177.3 | -55 | 0 | 0 | 0 | 0 | 108.8 | G98 D129 | T96-G98 PolarHBondContact O-N 3.12Å; T96-D129 PolarHBondContact N-O 2.99Å |
| 97 | S | 69 | Low | 78.8 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | trans | -75.9 | 108.2 | 175.2 | 54.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 98 | G | 68.8 | Low | 78.3 | Confident | 34 Ų | 34 | 65.4 Ų | 65.4 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | trans | -75.7 | 173.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | T96 L100 T101 | T96-G98 PolarHBondContact O-N 3.12Å; G98-L100 PolarHBondContact O-N 3.06Å; G98-T101 WeakPolarHBondContact O-CB 3.28Å; G98-T101 PolarHBondContact O-N 3.02Å | ||
| 99 | A | 66.7 | Low | 77.5 | Confident | 73 Ų | 73 | 63 Ų | 63 | 60% | 0.603 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -54.5 | -26.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T101 W102 L103 | A99-T101 VanDerWaalsContact C-N 3.3Å; A99-T101 PolarHBondContact O-N 3.18Å; A99-W102 WeakPolarHBondContact O-CB 3.1Å; A99-W102 PolarHBondContact O-N 3.29Å; A99-L103 PolarHBondContact O-N 2.92Å |
| 100 | L | 68.7 | Low | 76.7 | Confident | 102 Ų | 102 | 70.2 Ų | 70.2 | 53% | 0.534 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.9 | -32.9 | 176.1 | -82.1 | 152.8 | 0 | 0 | 0 | 113.8 | G98 S104 L127 | G98-L100 PolarHBondContact O-N 3.06Å; L100-S104 VanDerWaalsContact O-CB 3.3Å; L100-S104 WeakPolarHBondContact O-CB 3.37Å; L100-S104 PolarHBondContact O-N 3.44Å; L100-S104 PolarHBondContact O-OG 3.15Å; L100-L127 HydrophobicContact CB-CD1 4.33Å; L100-L127 HydrophobicContact CB-CD2 3.99Å; L100-L127 HydrophobicContact CD1-CD2 4.1Å; L100-L127 HydrophobicContact CD2-CD2 4.32Å; L100-L127 HydrophobicContact CG-CD2 4.36Å |
| 101 | T | 72.6 | Confident | 75.8 | Confident | 15 Ų | 15 | 73.7 Ų | 73.7 | 9% | 0.092 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 173.8 | -72.5 | 0 | 0 | 0 | 0 | 110.3 | G98 A99 S104 C105 I124 | G98-T101 WeakPolarHBondContact O-CB 3.28Å; G98-T101 PolarHBondContact O-N 3.02Å; A99-T101 VanDerWaalsContact C-N 3.3Å; A99-T101 PolarHBondContact O-N 3.18Å; T101-S104 PolarHBondContact O-N 2.74Å; T101-C105 VanDerWaalsContact O-CB 3.27Å; T101-C105 WeakPolarHBondContact O-CB 3.42Å; T101-C105 PolarHBondContact O-N 2.54Å; T101-I124 HydrophobicContact CG2-CB 4.47Å; T101-I124 HydrophobicContact CG2-CD1 3.83Å; T101-I124 HydrophobicContact CG2-CG1 3.58Å; T101-I124 HydrophobicContact CG2-CG2 4.26Å |
| 102 | W | 74.3 | Confident | 74.5 | Confident | 194 Ų | 194 | 75.2 Ų | 75.2 | 74% | 0.735 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.8 | -43.4 | 179 | -68.1 | 90.9 | 0 | 0 | 0 | 112.1 | A99 C105 G106 | A99-W102 WeakPolarHBondContact O-CB 3.1Å; A99-W102 PolarHBondContact O-N 3.29Å; W102-C105 PolarHBondContact O-N 2.79Å; W102-G106 PolarHBondContact O-N 2.79Å |
| 103 | L | 74.8 | Confident | 73.1 | Confident | 126 Ų | 126 | 74.1 Ų | 74.1 | 66% | 0.66 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.9 | -39.5 | 176.1 | -73.9 | 176.4 | 0 | 0 | 0 | 112.2 | A99 G107 | A99-L103 PolarHBondContact O-N 2.92Å; L103-G107 PolarHBondContact O-N 3.16Å |
| 104 | S | 74.5 | Confident | 71.8 | Confident | 45 Ų | 45 | 80 Ų | 80 | 32% | 0.315 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 175.8 | -66.6 | 0 | 0 | 0 | 0 | 111.7 | L100 T101 G107 L108 | L100-S104 VanDerWaalsContact O-CB 3.3Å; L100-S104 WeakPolarHBondContact O-CB 3.37Å; L100-S104 PolarHBondContact O-N 3.44Å; L100-S104 PolarHBondContact O-OG 3.15Å; T101-S104 PolarHBondContact O-N 2.74Å; S104-G107 PolarHBondContact O-N 3.26Å; S104-L108 WeakPolarHBondContact O-CB 3.43Å; S104-L108 PolarHBondContact O-N 3.12Å |
| 105 | C | 71.9 | Confident | 70.7 | Confident | 46 Ų | 46 | 81.7 Ų | 81.7 | 31% | 0.311 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 176.5 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | T101 W102 L108 C109 | T101-C105 VanDerWaalsContact O-CB 3.27Å; T101-C105 WeakPolarHBondContact O-CB 3.42Å; T101-C105 PolarHBondContact O-N 2.54Å; W102-C105 PolarHBondContact O-N 2.79Å; C105-L108 PolarHBondContact O-N 3.42Å; C105-C109 WeakPolarHBondContact O-CB 3.28Å; C105-C109 PolarHBondContact O-N 2.98Å |
| 106 | G | 76.3 | Confident | 69.7 | Low | 33 Ų | 33 | 77.6 Ų | 77.6 | 34% | 0.34 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W102 L108 C109 L110 | W102-G106 PolarHBondContact O-N 2.79Å; G106-L108 PolarHBondContact O-N 3.47Å; G106-C109 PolarHBondContact O-N 3.05Å; G106-L110 WeakPolarHBondContact O-CB 3.49Å; G106-L110 VanDerWaalsContact O-CG 3.26Å; G106-L110 WeakPolarHBondContact O-CG 3.28Å; G106-L110 PolarHBondContact O-N 2.73Å |
| 107 | G | 78.3 | Confident | 69.1 | Low | 25 Ų | 25 | 78.1 Ų | 78.1 | 26% | 0.258 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L103 S104 L110 L111 | L103-G107 PolarHBondContact O-N 3.16Å; S104-G107 PolarHBondContact O-N 3.26Å; G107-L110 PolarHBondContact O-N 3.01Å; G107-L111 VanDerWaalsContact O-CB 3.25Å; G107-L111 WeakPolarHBondContact O-CB 3.11Å; G107-L111 WeakPolarHBondContact O-CD1 3.46Å; G107-L111 VanDerWaalsContact O-CG 3.25Å; G107-L111 WeakPolarHBondContact O-CG 3.22Å; G107-L111 PolarHBondContact O-N 3.12Å |
| 108 | L | 75.3 | Confident | 68.6 | Low | 48 Ų | 48 | 79.8 Ų | 79.8 | 25% | 0.251 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.4 | -36.2 | -179.7 | -164.6 | 60.4 | 0 | 0 | 0 | 112.5 | S104 C105 G106 L110 L111 G112 G116 L119 I120 | S104-L108 WeakPolarHBondContact O-CB 3.43Å; S104-L108 PolarHBondContact O-N 3.12Å; C105-L108 PolarHBondContact O-N 3.42Å; G106-L108 PolarHBondContact O-N 3.47Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L111 PolarHBondContact O-N 3.3Å; L108-G112 PolarHBondContact O-N 3.28Å; L108-G112 VanDerWaalsContact O-N 3.14Å; L108-G116 WeakPolarHBondContact CD2-O 3.45Å; L108-L119 HydrophobicContact CD2-CB 4.25Å; L108-I120 HydrophobicContact CD2-CG1 4.18Å |
| 109 | C | 72 | Confident | 68.4 | Low | 71 Ų | 71 | 82.7 Ų | 82.7 | 48% | 0.48 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 169.7 | -85.3 | 0 | 0 | 0 | 0 | 112.4 | C105 G106 C113 | C105-C109 WeakPolarHBondContact O-CB 3.28Å; C105-C109 PolarHBondContact O-N 2.98Å; G106-C109 PolarHBondContact O-N 3.05Å; C109-C113 PolarHBondContact O-SG 3.42Å |
| 110 | L | 71.9 | Confident | 68.5 | Low | 157 Ų | 157 | 81.5 Ų | 81.5 | 82% | 0.822 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -76.6 | -28.7 | 177.4 | -70.6 | 169.5 | 0 | 0 | 0 | 112.9 | G106 G107 L108 | G106-L110 WeakPolarHBondContact O-CB 3.49Å; G106-L110 VanDerWaalsContact O-CG 3.26Å; G106-L110 WeakPolarHBondContact O-CG 3.28Å; G106-L110 PolarHBondContact O-N 2.73Å; G107-L110 PolarHBondContact O-N 3.01Å; L108-L110 VanDerWaalsContact C-N 3.31Å |
| 111 | L | 70.6 | Confident | 68.3 | Low | 152 Ų | 152 | 80.3 Ų | 80.3 | 80% | 0.796 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -94.8 | -16.7 | -172.4 | -74.5 | 162.1 | 0 | 0 | 0 | 115.3 | G107 L108 | G107-L111 VanDerWaalsContact O-CB 3.25Å; G107-L111 WeakPolarHBondContact O-CB 3.11Å; G107-L111 WeakPolarHBondContact O-CD1 3.46Å; G107-L111 VanDerWaalsContact O-CG 3.25Å; G107-L111 WeakPolarHBondContact O-CG 3.22Å; G107-L111 PolarHBondContact O-N 3.12Å; L108-L111 PolarHBondContact O-N 3.3Å |
| 112 | G | 64.5 | Low | 67.8 | Low | 36 Ų | 36 | 87.4 Ų | 87.4 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | trans | 166.5 | 89.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | L108 V114 G116 | L108-G112 PolarHBondContact O-N 3.28Å; L108-G112 VanDerWaalsContact O-N 3.14Å; G112-V114 PolarHBondContact O-N 2.92Å; G112-G116 PolarHBondContact O-N 3.14Å | ||
| 113 | C | 58.8 | Low | 67.3 | Low | 95 Ų | 95 | 80.4 Ų | 80.4 | 64% | 0.642 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 26.1 | -177.6 | -78.3 | 0 | 0 | 0 | 0 | 117.3 | C109 | C109-C113 PolarHBondContact O-SG 3.42Š|
| 114 | V | 59.8 | Low | 66.8 | Low | 146 Ų | 146 | 77 Ų | 77 | 89% | 0.885 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.6 | -21.1 | 176.2 | -171.2 | 0 | 0 | 0 | 0 | 113.2 | G112 | G112-V114 PolarHBondContact O-N 2.92Š|
| 115 | A | 60.5 | Low | 66.3 | Low | 83 Ų | 83 | 77.8 Ų | 77.8 | 69% | 0.686 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | -12.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 116 | G | 61.7 | Low | 65.9 | Low | 7 Ų | 7 | 77.5 Ų | 77.5 | 7% | 0.072 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -82.6 | -23.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | L108 G112 C118 L119 | L108-G116 WeakPolarHBondContact CD2-O 3.45Å; G112-G116 PolarHBondContact O-N 3.14Å; G116-C118 PolarHBondContact O-N 3.2Å; G116-C118 VanDerWaalsContact O-N 3.12Å; G116-L119 PolarHBondContact O-N 3.44Å; G116-L119 VanDerWaalsContact O-N 3.09Å |
| 117 | C | 60.8 | Low | 65.3 | Low | 85 Ų | 85 | 77.7 Ų | 77.7 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -25.8 | -173.2 | 55 | 0 | 0 | 0 | 0 | 114.1 | I120 | C117-I120 HydrophobicContact CB-CD1 4.49Š|
| 118 | C | 58.8 | Low | 64.9 | Low | 102 Ų | 102 | 79.4 Ų | 79.4 | 69% | 0.689 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -17.9 | 178.5 | -59 | 0 | 0 | 0 | 0 | 114.1 | G116 P121 | G116-C118 PolarHBondContact O-N 3.2Å; G116-C118 VanDerWaalsContact O-N 3.12Å; C118-P121 WeakPolarHBondContact O-CD 3.45Å |
| 119 | L | 62.8 | Low | 65.1 | Low | 95 Ų | 95 | 79.2 Ų | 79.2 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -14.3 | -178.6 | -67.4 | 173.8 | 0 | 0 | 0 | 113.1 | L108 G116 F122 C123 | L108-L119 HydrophobicContact CD2-CB 4.25Å; G116-L119 PolarHBondContact O-N 3.44Å; G116-L119 VanDerWaalsContact O-N 3.09Å; L119-F122 PolarHBondContact O-N 3.36Å; L119-F122 VanDerWaalsContact O-N 3.14Å; L119-C123 PolarHBondContact O-N 3.02Å; L119-C123 PolarHBondContact O-SG 3.41Å; L119-C123 VanDerWaalsContact O-SG 3.42Å |
| 120 | I | 70.6 | Confident | 65.7 | Low | 48 Ų | 48 | 75.9 Ų | 75.9 | 25% | 0.246 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -51.9 | -51.3 | 178.4 | -59.1 | 176 | 0 | 0 | 0 | 112.5 | L108 C117 F122 C123 I124 | L108-I120 HydrophobicContact CD2-CG1 4.18Å; C117-I120 HydrophobicContact CB-CD1 4.49Å; I120-F122 VanDerWaalsContact C-N 3.31Å; I120-F122 PolarHBondContact O-N 3.27Å; I120-C123 PolarHBondContact O-N 2.84Å; I120-I124 HydrophobicContact CG2-CD1 3.53Å; I120-I124 HydrophobicContact CG2-CG1 4.33Å; I120-I124 WeakPolarHBondContact O-CB 3.47Å; I120-I124 WeakPolarHBondContact O-CG1 3.15Å; I120-I124 PolarHBondContact O-N 2.91Å |
| 121 | P | 63.9 | Low | 66.5 | Low | 77 Ų | 77 | 70 Ų | 70 | 50% | 0.5 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 178.7 | 21.8 | -32.6 | 0 | 0 | 0 | 112.3 | C118 I124 D125 | C118-P121 WeakPolarHBondContact O-CD 3.45Å; P121-I124 PolarHBondContact O-N 3.06Å; P121-D125 WeakPolarHBondContact O-CB 3.29Å; P121-D125 PolarHBondContact O-N 3.49Å |
| 122 | F | 62.3 | Low | 67.3 | Low | 165 Ų | 165 | 62.7 Ų | 62.7 | 72% | 0.724 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -69.9 | -39.7 | -177.1 | -149.8 | -92.7 | 0 | 0 | 0 | 112.7 | L119 I120 A126 | L119-F122 PolarHBondContact O-N 3.36Å; L119-F122 VanDerWaalsContact O-N 3.14Å; I120-F122 VanDerWaalsContact C-N 3.31Å; I120-F122 PolarHBondContact O-N 3.27Å; F122-A126 PolarHBondContact O-N 3.31Å |
| 123 | C | 62.6 | Low | 68.6 | Low | 47 Ų | 47 | 64 Ų | 64 | 32% | 0.318 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 175.2 | -69.2 | 0 | 0 | 0 | 0 | 111.6 | L119 I120 D125 A126 L127 | L119-C123 PolarHBondContact O-N 3.02Å; L119-C123 PolarHBondContact O-SG 3.41Å; L119-C123 VanDerWaalsContact O-SG 3.42Å; I120-C123 PolarHBondContact O-N 2.84Å; C123-D125 VanDerWaalsContact C-N 3.35Å; C123-D125 PolarHBondContact O-N 3.02Å; C123-A126 PolarHBondContact O-N 3.43Å; C123-L127 VanDerWaalsContact O-CD1 3.29Å; C123-L127 WeakPolarHBondContact O-CD1 3.43Å; C123-L127 WeakPolarHBondContact O-CG 3.06Å; C123-L127 PolarHBondContact O-N 2.93Å |
| 124 | I | 64.8 | Low | 70.1 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 27% | 0.272 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 179.6 | -66.9 | 175.7 | 0 | 0 | 0 | 111.3 | T101 I120 P121 A126 L127 R128 | T101-I124 HydrophobicContact CG2-CB 4.47Å; T101-I124 HydrophobicContact CG2-CD1 3.83Å; T101-I124 HydrophobicContact CG2-CG1 3.58Å; T101-I124 HydrophobicContact CG2-CG2 4.26Å; I120-I124 HydrophobicContact CG2-CD1 3.53Å; I120-I124 HydrophobicContact CG2-CG1 4.33Å; I120-I124 WeakPolarHBondContact O-CB 3.47Å; I120-I124 WeakPolarHBondContact O-CG1 3.15Å; I120-I124 PolarHBondContact O-N 2.91Å; P121-I124 PolarHBondContact O-N 3.06Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 3.18Å; I124-L127 PolarHBondContact O-N 3.48Å; I124-R128 PolarHBondContact O-N 3.39Å |
| 125 | D | 64.9 | Low | 71.6 | Confident | 62 Ų | 62 | 56 Ų | 56 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.2 | -26 | 178.4 | -74.9 | -38.7 | 0 | 0 | 0 | 113.5 | P121 C123 R128 R146 | P121-D125 WeakPolarHBondContact O-CB 3.29Å; P121-D125 PolarHBondContact O-N 3.49Å; C123-D125 VanDerWaalsContact C-N 3.35Å; C123-D125 PolarHBondContact O-N 3.02Å; D125-R128 IonicContact OD1-CZ 3.12Å; D125-R128 IonicContact OD1-NE 3.26Å; D125-R128 PolarHBondContact OD1-NE 2.98Å; D125-R128 VanDerWaalsContact OD1-NE 3.16Å; D125-R128 IonicContact OD1-NH1 2.9Å; D125-R128 PolarHBondContact OD1-NH1 2.89Å; D125-R128 IonicContact OD1-NH2 2.73Å; D125-R128 PolarHBondContact OD1-NH2 2.92Å; D125-R128 VanDerWaalsContact OD1-NH2 3.12Å; D125-R146 PolarHBondContact O-NH1 2.91Å |
| 126 | A | 63.2 | Low | 73.1 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -77.8 | -27.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F122 C123 I124 | F122-A126 PolarHBondContact O-N 3.31Å; C123-A126 PolarHBondContact O-N 3.43Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 3.18Å |
| 127 | L | 64 | Low | 74.4 | Confident | 37 Ų | 37 | 59 Ų | 59 | 19% | 0.194 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -104.4 | -3.2 | -170.5 | -70.8 | 157.4 | 0 | 0 | 0 | 114.3 | L100 C123 I124 L147 | L100-L127 HydrophobicContact CB-CD1 4.33Å; L100-L127 HydrophobicContact CB-CD2 3.99Å; L100-L127 HydrophobicContact CD1-CD2 4.1Å; L100-L127 HydrophobicContact CD2-CD2 4.32Å; L100-L127 HydrophobicContact CG-CD2 4.36Å; C123-L127 VanDerWaalsContact O-CD1 3.29Å; C123-L127 WeakPolarHBondContact O-CD1 3.43Å; C123-L127 WeakPolarHBondContact O-CG 3.06Å; C123-L127 PolarHBondContact O-N 2.93Å; I124-L127 PolarHBondContact O-N 3.48Å; L127-L147 HydrophobicContact CD2-CD1 3.82Å |
| 128 | R | 70.4 | Confident | 75.8 | Confident | 60 Ų | 60 | 63.2 Ų | 63.2 | 23% | 0.226 | 34% | 0.341 | C | S | . | . | trans | -84.1 | 129.8 | -179.6 | 64.5 | -172.6 | -174.9 | 166.7 | -3.5 | 111.3 | Y95 I124 D125 | Y95-R128 HydrophobicContact CD1-CG 4.14Å; I124-R128 PolarHBondContact O-N 3.39Å; D125-R128 IonicContact OD1-CZ 3.12Å; D125-R128 IonicContact OD1-NE 3.26Å; D125-R128 PolarHBondContact OD1-NE 2.98Å; D125-R128 VanDerWaalsContact OD1-NE 3.16Å; D125-R128 IonicContact OD1-NH1 2.9Å; D125-R128 PolarHBondContact OD1-NH1 2.89Å; D125-R128 IonicContact OD1-NH2 2.73Å; D125-R128 PolarHBondContact OD1-NH2 2.92Å; D125-R128 VanDerWaalsContact OD1-NH2 3.12Å | ||
| 129 | D | 78.6 | Confident | 77.3 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 24% | 0.241 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 143.2 | 167.1 | -72.9 | -22.3 | 0 | 0 | 0 | 109.2 | T96 K145 | T96-D129 PolarHBondContact N-O 2.99Å; D129-K145 WeakPolarHBondContact OD1-CG 3.25Å; D129-K145 IonicContact OD2-NZ 3.16Å; D129-K145 PolarHBondContact OD2-NZ 2.8Å |
| 130 | V | 84.1 | Confident | 78.5 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 111.6 | -179.2 | -173 | 0 | 0 | 0 | 0 | 109.1 | L93 Y95 S143 Y144 | L93-V130 HydrophobicContact CB-CG1 4.17Å; L93-V130 HydrophobicContact CD1-CG1 4.3Å; L93-V130 HydrophobicContact CD2-CG1 3.72Å; L93-V130 HydrophobicContact CG-CG1 4.29Å; Y95-V130 HydrophobicContact CD1-CG1 4.42Å; Y95-V130 HydrophobicContact CD1-CG2 3.8Å; Y95-V130 HydrophobicContact CE1-CB 4.44Å; Y95-V130 HydrophobicContact CE1-CG1 4.05Å; Y95-V130 HydrophobicContact CE1-CG2 3.63Å; V130-S143 CarbonylContact O-C 3.59Å; V130-S143 VanDerWaalsContact O-CA 3.28Å; V130-S143 WeakPolarHBondContact O-CA 3.46Å; V130-Y144 PolarHBondContact N-O 3.47Å; V130-Y144 PolarHBondContact O-N 3.09Å |
| 131 | D | 88.1 | Confident | 79.3 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 17% | 0.171 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 129.5 | 177 | -62.4 | -42.5 | 0 | 0 | 0 | 110.4 | L93 S94 F133 F140 S143 | L93-D131 CarbonylContact C-O 3.51Å; L93-D131 WeakPolarHBondContact CA-O 3.36Å; S94-D131 PolarHBondContact N-O 3.44Å; S94-D131 PolarHBondContact O-N 3.47Å; D131-F133 HydrophobicContact CB-CD2 4.28Å; D131-F133 HydrophobicContact CB-CE2 3.48Å; D131-F133 VanDerWaalsContact CB-CE2 3.48Å; D131-F133 HydrophobicContact CB-CZ 4.08Å; D131-F140 HydrophobicContact CB-CE2 4.34Å; D131-S143 VanDerWaalsContact OD1-CB 3.28Å; D131-S143 WeakPolarHBondContact OD1-CB 3.27Å; D131-S143 PolarHBondContact OD1-OG 3.19Å |
| 132 | H | 89.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124.6 | 179.4 | -66.7 | -110.2 | 0 | 0 | 0 | 110.7 | F73 Y74 R76 T91 H92 L93 V141 G142 | F73-H132 HydrophobicContact CD1-CB 4.06Å; F73-H132 AromaticContact CD1-CD2 3.67Å; F73-H132 AromaticContact CD1-CE1 3.85Å; F73-H132 AromaticContact CD1-CG 3.57Å; F73-H132 AromaticContact CD1-ND1 3.69Å; F73-H132 AromaticContact CD1-NE2 3.86Å; F73-H132 HydrophobicContact CE1-CB 4.19Å; Y74-H132 PolarHBondContact O-NE2 3.43Å; Y74-H132 VanDerWaalsContact O-NE2 3.15Å; R76-H132 PolarHBondContact O-CE1 3.46Å; T91-H132 HydrophobicContact CG2-CB 4.14Å; T91-H132 PolarHBondContact OG1-ND1 2.82Å; H92-H132 WeakPolarHBondContact O-CA 3.46Å; L93-H132 WeakPolarHBondContact CD2-CE1 3.45Å; L93-H132 WeakPolarHBondContact CD2-ND1 3.3Å; H132-V141 HydrophobicContact CB-CB 4.29Å; H132-V141 WeakPolarHBondContact O-CB 3.3Å; H132-V141 PolarHBondContact O-N 3.5Å; H132-G142 WeakPolarHBondContact CB-O 3.41Å; H132-G142 PolarHBondContact N-O 2.91Å |
| 133 | F | 91 | Very high | 81.2 | Confident | 63 Ų | 63 | 50.5 Ų | 50.5 | 28% | 0.276 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 149.5 | 177.4 | -64.7 | -88.1 | 0 | 0 | 0 | 111.6 | H92 D131 A139 F140 | H92-F133 PolarHBondContact N-O 2.86Å; H92-F133 PolarHBondContact O-N 2.93Å; D131-F133 HydrophobicContact CB-CD2 4.28Å; D131-F133 HydrophobicContact CB-CE2 3.48Å; D131-F133 VanDerWaalsContact CB-CE2 3.48Å; D131-F133 HydrophobicContact CB-CZ 4.08Å; F133-A139 WeakPolarHBondContact CA-O 3.36Å; F133-F140 HydrophobicContact CD1-CB 4.3Å; F133-F140 HydrophobicContact CD1-CD2 4.5Å; F133-F140 HydrophobicContact CE1-CB 4.07Å; F133-F140 AromaticContact CE1-CD2 3.96Å; F133-F140 HydrophobicContact CE1-CD2 3.96Å; F133-F140 HydrophobicContact CZ-CD2 4.1Å |
| 134 | C | 90.3 | Very high | 82.1 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | trans | -75.9 | 126.9 | 171.8 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | C82 N136 C137 K138 A139 V141 | C82-C134 VanDerWaalsContact SG-SG 3.61Å; C134-N136 VanDerWaalsContact C-N 3.25Å; C134-N136 PolarHBondContact O-N 3Å; C134-N136 PolarHBondContact SG-N 3.38Å; C134-C137 VanDerWaalsContact CB-SG 3.54Å; C134-C137 PolarHBondContact SG-SG 3.24Å; C134-K138 WeakPolarHBondContact O-CA 3.22Å; C134-K138 PolarHBondContact O-N 2.98Å; C134-A139 HydrophobicContact CB-CB 4.5Å; C134-A139 PolarHBondContact N-O 3.48Å; C134-V141 HydrophobicContact CB-CG2 4.29Å | ||
| 135 | P | 91.2 | Very high | 82.6 | Confident | 73 Ų | 73 | 55.2 Ų | 55.2 | 47% | 0.474 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -21.6 | 178.6 | 29.2 | -36.8 | 0 | 0 | 0 | 113.5 | I89 V90 | I89-P135 HydrophobicContact CB-CG 4.14Å; I89-P135 HydrophobicContact CG2-CG 4.39Å; V90-P135 VanDerWaalsContact O-CD 3.32Å; V90-P135 WeakPolarHBondContact O-CD 3.32Å; V90-P135 WeakPolarHBondContact O-CG 3.49Å |
| 136 | N | 91.3 | Very high | 82.7 | Confident | 96 Ų | 96 | 57.8 Ų | 57.8 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -51.9 | -179.1 | -82.9 | -77.2 | 0 | 0 | 0 | 112.5 | I89 C134 | I89-N136 WeakPolarHBondContact CG2-ND2 3.04Å; C134-N136 VanDerWaalsContact C-N 3.25Å; C134-N136 PolarHBondContact O-N 3Å; C134-N136 PolarHBondContact SG-N 3.38Å |
| 137 | C | 89.6 | Confident | 82.5 | Confident | 56 Ų | 56 | 64.4 Ų | 64.4 | 38% | 0.378 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -1.8 | -174.2 | 60.8 | 0 | 0 | 0 | 0 | 113.9 | C82 C85 C134 A139 | C82-C137 VanDerWaalsContact SG-SG 3.67Å; C85-C137 HydrophobicContact CB-CB 4.28Å; C134-C137 VanDerWaalsContact CB-SG 3.54Å; C134-C137 PolarHBondContact SG-SG 3.24Å; C137-A139 PolarHBondContact O-N 3.14Å; C137-A139 VanDerWaalsContact SG-CB 3.5Å |
| 138 | K | 90.8 | Very high | 83.4 | Confident | 173 Ų | 173 | 65.8 Ų | 65.8 | 75% | 0.752 | 33% | 0.327 | S | S | * | . | trans | 57.1 | 13.5 | -175 | -55.5 | -171.5 | -179.6 | 179.5 | 0 | 114.6 | C134 | C134-K138 WeakPolarHBondContact O-CA 3.22Å; C134-K138 PolarHBondContact O-N 2.98Å | ||
| 139 | A | 89.1 | Confident | 84.1 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | trans | -63.3 | 137.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S84 F133 C134 C137 | S84-A139 VanDerWaalsContact OG-CB 3.27Å; S84-A139 WeakPolarHBondContact OG-CB 3.26Å; F133-A139 WeakPolarHBondContact CA-O 3.36Å; C134-A139 HydrophobicContact CB-CB 4.5Å; C134-A139 PolarHBondContact N-O 3.48Å; C137-A139 PolarHBondContact O-N 3.14Å; C137-A139 VanDerWaalsContact SG-CB 3.5Å | ||
| 140 | F | 88.8 | Confident | 84.4 | Confident | 114 Ų | 114 | 67.3 Ų | 67.3 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 131.5 | 170.6 | 174.6 | -101.1 | 0 | 0 | 0 | 109.5 | D131 F133 S143 | D131-F140 HydrophobicContact CB-CE2 4.34Å; F133-F140 HydrophobicContact CD1-CB 4.3Å; F133-F140 HydrophobicContact CD1-CD2 4.5Å; F133-F140 HydrophobicContact CE1-CB 4.07Å; F133-F140 AromaticContact CE1-CD2 3.96Å; F133-F140 HydrophobicContact CE1-CD2 3.96Å; F133-F140 HydrophobicContact CZ-CD2 4.1Å; F140-S143 WeakPolarHBondContact CE2-OG 3.47Å; F140-S143 WeakPolarHBondContact CZ-OG 3.25Å |
| 141 | V | 87.9 | Confident | 84.4 | Confident | 26 Ų | 26 | 71.2 Ų | 71.2 | 16% | 0.158 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -43 | -174 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | F73 M80 T91 H132 C134 | F73-V141 HydrophobicContact CE1-CB 4.49Å; F73-V141 HydrophobicContact CE1-CG1 3.86Å; F73-V141 HydrophobicContact CZ-CG1 3.68Å; M80-V141 HydrophobicContact CE-CG1 3.46Å; M80-V141 VanDerWaalsContact CE-CG1 3.46Å; M80-V141 HydrophobicContact SD-CG1 3.43Å; M80-V141 WeakPolarHBondContact SD-CG1 3.48Å; T91-V141 HydrophobicContact CG2-CB 4.47Å; T91-V141 HydrophobicContact CG2-CG1 4.41Å; T91-V141 HydrophobicContact CG2-CG2 4.27Å; H132-V141 HydrophobicContact CB-CB 4.29Å; H132-V141 WeakPolarHBondContact O-CB 3.3Å; H132-V141 PolarHBondContact O-N 3.5Å; C134-V141 HydrophobicContact CB-CG2 4.29Å |
| 142 | G | 83.4 | Confident | 84.2 | Confident | 9 Ų | 9 | 73.6 Ų | 73.6 | 9% | 0.093 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.1 | 163.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H132 | H132-G142 WeakPolarHBondContact CB-O 3.41Å; H132-G142 PolarHBondContact N-O 2.91Å |
| 143 | S | 83 | Confident | 83.9 | Confident | 49 Ų | 49 | 78.5 Ų | 78.5 | 34% | 0.343 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.7 | 173.9 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | V130 D131 F140 | V130-S143 CarbonylContact O-C 3.59Å; V130-S143 VanDerWaalsContact O-CA 3.28Å; V130-S143 WeakPolarHBondContact O-CA 3.46Å; D131-S143 VanDerWaalsContact OD1-CB 3.28Å; D131-S143 WeakPolarHBondContact OD1-CB 3.27Å; D131-S143 PolarHBondContact OD1-OG 3.19Å; F140-S143 WeakPolarHBondContact CE2-OG 3.47Å; F140-S143 WeakPolarHBondContact CZ-OG 3.25Å |
| 144 | Y | 81.6 | Confident | 83.4 | Confident | 70 Ų | 70 | 79.6 Ų | 79.6 | 28% | 0.275 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 110.2 | 166.7 | 177.6 | -113.6 | 0 | 0 | 0 | 108.9 | F73 V130 R146 | F73-Y144 WeakPolarHBondContact O-CD2 3.35Å; V130-Y144 PolarHBondContact N-O 3.47Å; V130-Y144 PolarHBondContact O-N 3.09Å; Y144-R146 HydrophobicContact CD1-CG 3.99Å; Y144-R146 HydrophobicContact CE1-CG 3.34Å |
| 145 | K | 74.8 | Confident | 82.9 | Confident | 129 Ų | 129 | 85.7 Ų | 85.7 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | trans | -99.5 | 130.2 | 172.6 | -60.1 | -171.4 | 169.5 | -96.7 | 0 | 108.6 | D129 | D129-K145 WeakPolarHBondContact OD1-CG 3.25Å; D129-K145 IonicContact OD2-NZ 3.16Å; D129-K145 PolarHBondContact OD2-NZ 2.8Å | ||
| 146 | R | 67.2 | Low | 82.2 | Confident | 116 Ų | 116 | 86.8 Ų | 86.8 | 44% | 0.438 | 43% | 0.428 | S | S | . | . | trans | -88.2 | -11.2 | -179.6 | -66.2 | -178.6 | 108.2 | -174.2 | 3.1 | 113.2 | D125 Y144 | D125-R146 PolarHBondContact O-NH1 2.91Å; Y144-R146 HydrophobicContact CD1-CG 3.99Å; Y144-R146 HydrophobicContact CE1-CG 3.34Å | ||
| 147 | L | 58.4 | Low | 81.3 | Confident | 181 Ų | 181 | 85.9 Ų | 85.9 | 95% | 0.948 | 42% | 0.421 | S | S | * | . | trans | -137.4 | 0 | -179.7 | -74.5 | 118.9 | 0 | 0 | 0 | 111.8 | L127 | L127-L147 HydrophobicContact CD2-CD1 3.82Š|
Retrieved 147 of 147 residues in 83.8 ms
(Link to these results)