| 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 | 68.2 | Low | 62.6 | Low | 240 Ų | 240 | 143.9 Ų | 143.9 | 100% | 1.182 | 85% | 0.853 | S | S | * | * | 0 | 111.6 | 0 | -69.1 | 176.2 | 89.6 | 0 | 0 | 108 | |||||
| 2 | Y | 65.1 | Low | 62.1 | Low | 230 Ų | 230 | 142.1 Ų | 142.1 | 90% | 0.902 | 85% | 0.853 | S | S | * | * | trans | -133.9 | 146.1 | 166.1 | -81.7 | -82.3 | 0 | 0 | 0 | 106.6 | ||||
| 3 | P | 70.2 | Confident | 61.3 | Low | 123 Ų | 123 | 139.6 Ų | 139.6 | 80% | 0.799 | 85% | 0.847 | S | S | * | * | trans | -74.6 | 130.7 | -175.1 | 29.6 | -31.7 | 0 | 0 | 0 | 110.9 | ||||
| 4 | S | 71.2 | Confident | 60.4 | Low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 84% | 0.842 | S | S | * | * | trans | -70.4 | 127.3 | 168.3 | 48.5 | 0 | 0 | 0 | 0 | 110.4 | S6 | S4-S6 PolarHBondContact O-N 3.35Š| ||
| 5 | L | 67.7 | Low | 60 | Low | 176 Ų | 176 | 136.5 Ų | 136.5 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | trans | -78.4 | 105.9 | 166.5 | -79.1 | 158.8 | 0 | 0 | 0 | 108.7 | ||||
| 6 | S | 61.4 | Low | 59.3 | Low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 84% | 0.841 | S | S | * | * | trans | -75.8 | 126 | 172.8 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | S4 S8 | S4-S6 PolarHBondContact O-N 3.35Å; S6-S8 PolarHBondContact O-N 3.49Å | ||
| 7 | T | 56.7 | Low | 58.6 | Low | 133 Ų | 133 | 134.2 Ų | 134.2 | 82% | 0.816 | 84% | 0.836 | S | S | * | * | trans | -75.3 | 113.9 | 170.7 | 47.8 | 0 | 0 | 0 | 0 | 110 | S9 | T7-S9 PolarHBondContact O-N 3.27Š| ||
| 8 | S | 56 | Low | 57.8 | Low | 121 Ų | 121 | 132.7 Ų | 132.7 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -81.6 | 98.5 | 169.6 | -47.8 | 0 | 0 | 0 | 0 | 109.5 | S6 | S6-S8 PolarHBondContact O-N 3.49Š| ||
| 9 | S | 57.1 | Low | 56.8 | Low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -74.9 | 118.9 | 165.2 | 46.5 | 0 | 0 | 0 | 0 | 109.9 | T7 | T7-S9 PolarHBondContact O-N 3.27Š| ||
| 10 | S | 59.1 | Low | 56.4 | Low | 119 Ų | 119 | 132.3 Ų | 132.3 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | -117.9 | 100.1 | 162.6 | 55.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 11 | S | 56.2 | Low | 55.6 | Low | 121 Ų | 121 | 131.1 Ų | 131.1 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -68.9 | 128.5 | 165 | 46.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 12 | S | 56.1 | Low | 54.2 | Low | 122 Ų | 122 | 125 Ų | 125 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -129.4 | 116.3 | 158.4 | 54.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 13 | S | 51.8 | Low | 53.3 | Low | 110 Ų | 110 | 119.5 Ų | 119.5 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -83.7 | 138.4 | -172.8 | 46.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 14 | S | 48.5 | Very low | 52.2 | Low | 111 Ų | 111 | 118.6 Ų | 118.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | 52.8 | 111.9 | 139.8 | 63.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 15 | S | 54.4 | Low | 51.1 | Low | 122 Ų | 122 | 119.7 Ų | 119.7 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -157.7 | 103.7 | 133.6 | 59.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 16 | S | 49.7 | Very low | 50.2 | Low | 118 Ų | 118 | 115.6 Ų | 115.6 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -109.5 | 167.7 | 156.1 | -53 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 17 | P | 47.5 | Very low | 49.8 | Very low | 116 Ų | 116 | 116.2 Ų | 116.2 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | -141.4 | -176.3 | 7.4 | 38.7 | -17.7 | 0 | 0 | 0 | 115.3 | ||||
| 18 | S | 43.9 | Very low | 49.7 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | 124.9 | 117.9 | 138.4 | 72.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 19 | S | 39.5 | Very low | 49.7 | Very low | 104 Ų | 104 | 117.3 Ų | 117.3 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | 54.2 | 105.5 | 148.5 | 59.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 20 | V | 48.4 | Very low | 49.5 | Very low | 153 Ų | 153 | 121.1 Ų | 121.1 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | trans | -139.6 | 127.2 | 137.5 | -80.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 21 | S | 39.3 | Very low | 49.3 | Very low | 107 Ų | 107 | 121.8 Ų | 121.8 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -77 | 158.8 | -173 | -48.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 22 | S | 39.5 | Very low | 49.3 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 62.8 | 106.5 | 148.2 | 54.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 23 | S | 46 | Very low | 49 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | -172.2 | 134 | 122.2 | 39.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 24 | S | 47.6 | Very low | 49.5 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | 60.6 | 93.4 | 154.8 | 58 | 0 | 0 | 0 | 0 | 119.1 | A26 | S24-A26 VanDerWaalsContact C-N 3.31Å; S24-A26 PolarHBondContact O-N 3.25Å | ||
| 25 | S | 46.1 | Very low | 49.8 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -58.5 | 93.8 | 145.8 | 52.5 | 0 | 0 | 0 | 0 | 109.3 | S27 | S25-S27 PolarHBondContact O-N 3.27Å; S25-S27 VanDerWaalsContact O-N 3.15Å | ||
| 26 | A | 50.1 | Low | 50 | Low | 91 Ų | 91 | 123 Ų | 123 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -63.8 | 110.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | S24 L28 | S24-A26 VanDerWaalsContact C-N 3.31Å; S24-A26 PolarHBondContact O-N 3.25Å; A26-L28 PolarHBondContact O-N 3.01Å | ||
| 27 | S | 52.3 | Low | 50.4 | Low | 114 Ų | 114 | 124.8 Ų | 124.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 129.9 | 173.5 | 39.8 | 0 | 0 | 0 | 0 | 110.2 | S25 | S25-S27 PolarHBondContact O-N 3.27Å; S25-S27 VanDerWaalsContact O-N 3.15Å |
| 28 | L | 55.3 | Low | 50.8 | Low | 161 Ų | 161 | 124.5 Ų | 124.5 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 140.8 | 178.1 | -67.9 | 167.4 | 0 | 0 | 0 | 110.6 | A26 K30 | A26-L28 PolarHBondContact O-N 3.01Å; L28-K30 PolarHBondContact O-N 3.29Å |
| 29 | P | 54.6 | Low | 51.3 | Low | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 128.1 | 175.9 | 26.1 | -30.5 | 0 | 0 | 0 | 109.5 | V31 | P29-V31 PolarHBondContact O-N 2.84Š|
| 30 | K | 54.8 | Low | 52.1 | Low | 193 Ų | 193 | 129 Ų | 129 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 116.6 | 176.4 | -159.1 | 168.6 | -176.9 | 175.7 | 0 | 108.9 | L28 L32 | L28-K30 PolarHBondContact O-N 3.29Å; K30-L32 PolarHBondContact O-N 3Å |
| 31 | V | 54.2 | Low | 52.6 | Low | 134 Ų | 134 | 131.1 Ų | 131.1 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -52.9 | 104.9 | 174.7 | 174.9 | 0 | 0 | 0 | 0 | 108.3 | P29 S33 | P29-V31 PolarHBondContact O-N 2.84Å; V31-S33 PolarHBondContact O-N 2.85Å; V31-S33 VanDerWaalsContact O-N 3.08Å | ||
| 32 | L | 55.7 | Low | 53.8 | Low | 163 Ų | 163 | 130.2 Ų | 130.2 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -67.6 | 104.6 | 166.1 | -100.3 | 81.2 | 0 | 0 | 0 | 106.6 | K30 S34 | K30-L32 PolarHBondContact O-N 3Å; L32-S34 PolarHBondContact O-N 3.36Å; L32-S34 VanDerWaalsContact O-N 3.17Å | ||
| 33 | S | 50.8 | Low | 55.4 | Low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 117.7 | 166.5 | 46 | 0 | 0 | 0 | 0 | 109.2 | V31 | V31-S33 PolarHBondContact O-N 2.85Å; V31-S33 VanDerWaalsContact O-N 3.08Å |
| 34 | S | 61.1 | Low | 56.5 | Low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 147.4 | 173.5 | 35.8 | 0 | 0 | 0 | 0 | 110.7 | L32 S36 | L32-S34 PolarHBondContact O-N 3.36Å; L32-S34 VanDerWaalsContact O-N 3.17Å; S34-S36 PolarHBondContact O-N 2.95Å |
| 35 | P | 55.9 | Low | 57.4 | Low | 123 Ų | 123 | 128.7 Ų | 128.7 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 126.8 | 177.1 | 26 | -31.7 | 0 | 0 | 0 | 108.9 | L37 | P35-L37 PolarHBondContact O-N 3.35Š|
| 36 | S | 58.5 | Low | 58.4 | Low | 112 Ų | 112 | 127.5 Ų | 127.5 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 124.1 | 173.9 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | S34 | S34-S36 PolarHBondContact O-N 2.95Š|
| 37 | L | 56.9 | Low | 59.1 | Low | 155 Ų | 155 | 130.2 Ų | 130.2 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -52 | 140.3 | 169.5 | -76.4 | 124 | 0 | 0 | 0 | 109.6 | P35 K39 | P35-L37 PolarHBondContact O-N 3.35Å; L37-K39 PolarHBondContact O-N 3.03Å |
| 38 | P | 56.7 | Low | 59.7 | Low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 118.5 | 175.2 | 23.8 | -30.7 | 0 | 0 | 0 | 108.9 | S40 | P38-S40 PolarHBondContact O-N 3.25Š|
| 39 | K | 54.3 | Low | 60.3 | Low | 216 Ų | 216 | 125 Ų | 125 | 94% | 0.939 | 69% | 0.689 | S | S | * | * | trans | -71 | 81 | 169.2 | -70.5 | 175.4 | 178.7 | 175.2 | 0 | 108.2 | L37 | L37-K39 PolarHBondContact O-N 3.03Š| ||
| 40 | S | 56.1 | Low | 60.8 | Low | 90 Ų | 90 | 123.9 Ų | 123.9 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | trans | -141 | 65.2 | 164.9 | 65.4 | 0 | 0 | 0 | 0 | 108.9 | P38 L42 | P38-S40 PolarHBondContact O-N 3.25Å; S40-L42 VanDerWaalsContact C-N 3.26Å; S40-L42 PolarHBondContact O-N 3.15Å; S40-L42 VanDerWaalsContact O-N 3.08Å | ||
| 41 | Q | 59.6 | Low | 61.1 | Low | 197 Ų | 197 | 118.1 Ų | 118.1 | 92% | 0.921 | 66% | 0.655 | S | S | * | * | trans | -68.8 | 95.8 | 155.3 | -86.6 | 175.5 | -16.2 | 0 | 0 | 106 | S43 | Q41-S43 PolarHBondContact O-N 3.5Š| ||
| 42 | L | 63.4 | Low | 61.4 | Low | 87 Ų | 87 | 116.8 Ų | 116.8 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | trans | -49.4 | 135.3 | 156.8 | -77.6 | 154.8 | 0 | 0 | 0 | 106.8 | S40 E46 L50 | S40-L42 VanDerWaalsContact C-N 3.26Å; S40-L42 PolarHBondContact O-N 3.15Å; S40-L42 VanDerWaalsContact O-N 3.08Å; L42-E46 HydrophobicContact CB-CB 4.22Å; L42-E46 HydrophobicContact CD2-CB 3.9Å; L42-E46 VanDerWaalsContact CD2-CD 3.48Å; L42-E46 HydrophobicContact CD2-CG 3.98Å; L42-E46 WeakPolarHBondContact CD2-OE2 3.36Å; L42-L50 HydrophobicContact CD1-CD1 4.43Å | ||
| 43 | S | 72.7 | Confident | 61.4 | Low | 60 Ų | 60 | 115.9 Ų | 115.9 | 42% | 0.42 | 63% | 0.632 | S | S | . | * | trans | -58.3 | 149.5 | 172.9 | 62.3 | 0 | 0 | 0 | 0 | 109.2 | Q41 D45 E46 Y47 | Q41-S43 PolarHBondContact O-N 3.5Å; S43-D45 PolarHBondContact O-N 3.48Å; S43-D45 VanDerWaalsContact O-N 3.08Å; S43-E46 PolarHBondContact N-OE2 3.43Å; S43-E46 WeakPolarHBondContact O-CB 3.31Å; S43-E46 PolarHBondContact O-N 3.48Å; S43-E46 WeakPolarHBondContact OG-CB 3.24Å; S43-E46 PolarHBondContact OG-N 3.02Å; S43-Y47 PolarHBondContact O-N 2.87Å | ||
| 44 | I | 69.2 | Low | 61.7 | Low | 127 Ų | 127 | 118.6 Ų | 118.6 | 65% | 0.651 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -51.2 | -35.8 | 177.7 | -106.4 | 75.6 | 0 | 0 | 0 | 110.5 | Y47 L48 | I44-Y47 PolarHBondContact O-N 2.77Å; I44-L48 HydrophobicContact CG2-CD1 3.83Å; I44-L48 WeakPolarHBondContact O-CB 3.17Å; I44-L48 WeakPolarHBondContact O-CG 3.36Å; I44-L48 PolarHBondContact O-N 3.15Å |
| 45 | D | 66.6 | Low | 61.3 | Low | 112 Ų | 112 | 120.1 Ų | 120.1 | 60% | 0.599 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.8 | -38.5 | 179.7 | -56.9 | -30.5 | 0 | 0 | 0 | 112.3 | S43 L48 T49 | S43-D45 PolarHBondContact O-N 3.48Å; S43-D45 VanDerWaalsContact O-N 3.08Å; D45-L48 PolarHBondContact O-N 3.07Å; D45-T49 WeakPolarHBondContact O-CB 3.5Å; D45-T49 PolarHBondContact O-N 3.46Å; D45-T49 PolarHBondContact O-OG1 3.24Å |
| 46 | E | 67.1 | Low | 61.3 | Low | 102 Ų | 102 | 120.6 Ų | 120.6 | 48% | 0.477 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.1 | -41.9 | 173 | -118.3 | 171.5 | 162.4 | 0 | 0 | 111.3 | L42 S43 T49 L50 | L42-E46 HydrophobicContact CB-CB 4.22Å; L42-E46 HydrophobicContact CD2-CB 3.9Å; L42-E46 VanDerWaalsContact CD2-CD 3.48Å; L42-E46 HydrophobicContact CD2-CG 3.98Å; L42-E46 WeakPolarHBondContact CD2-OE2 3.36Å; S43-E46 PolarHBondContact N-OE2 3.43Å; S43-E46 WeakPolarHBondContact O-CB 3.31Å; S43-E46 PolarHBondContact O-N 3.48Å; S43-E46 WeakPolarHBondContact OG-CB 3.24Å; S43-E46 PolarHBondContact OG-N 3.02Å; E46-T49 PolarHBondContact O-N 3.5Å; E46-L50 VanDerWaalsContact O-CG 3.27Å; E46-L50 WeakPolarHBondContact O-CG 3.14Å; E46-L50 PolarHBondContact O-N 3.46Å |
| 47 | Y | 65.1 | Low | 61.1 | Low | 148 Ų | 148 | 121.7 Ų | 121.7 | 58% | 0.58 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.2 | -42.4 | 176.5 | -176.3 | -96.8 | 0 | 0 | 0 | 111.8 | S43 I44 N51 | S43-Y47 PolarHBondContact O-N 2.87Å; I44-Y47 PolarHBondContact O-N 2.77Å; Y47-N51 WeakPolarHBondContact CD1-ND2 3.36Å; Y47-N51 WeakPolarHBondContact CE1-ND2 3.29Å; Y47-N51 WeakPolarHBondContact CE2-ND2 3.49Å; Y47-N51 PolarHBondContact O-N 3.28Å; Y47-N51 VanDerWaalsContact O-N 3.12Å; Y47-N51 PolarHBondContact O-ND2 3.02Å |
| 48 | L | 64.6 | Low | 61 | Low | 88 Ų | 88 | 119.5 Ų | 119.5 | 46% | 0.461 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.6 | -39.9 | 176.8 | -77.8 | 161.1 | 0 | 0 | 0 | 112.1 | I44 D45 L50 N51 N52 | I44-L48 HydrophobicContact CG2-CD1 3.83Å; I44-L48 WeakPolarHBondContact O-CB 3.17Å; I44-L48 WeakPolarHBondContact O-CG 3.36Å; I44-L48 PolarHBondContact O-N 3.15Å; D45-L48 PolarHBondContact O-N 3.07Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.03Å; L48-N51 PolarHBondContact O-N 2.93Å; L48-N52 WeakPolarHBondContact O-CB 3.32Å; L48-N52 PolarHBondContact O-N 2.85Å |
| 49 | T | 69 | Low | 61.1 | Low | 77 Ų | 77 | 119.9 Ų | 119.9 | 47% | 0.472 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.9 | -39.6 | 177.6 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | D45 E46 K53 | D45-T49 WeakPolarHBondContact O-CB 3.5Å; D45-T49 PolarHBondContact O-N 3.46Å; D45-T49 PolarHBondContact O-OG1 3.24Å; E46-T49 PolarHBondContact O-N 3.5Å; T49-K53 WeakPolarHBondContact O-CG 3.4Å |
| 50 | L | 65.6 | Low | 61.1 | Low | 93 Ų | 93 | 117.9 Ų | 117.9 | 49% | 0.487 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.4 | -38 | 176.7 | -71 | 169.8 | 0 | 0 | 0 | 112.1 | L42 E46 L48 | L42-L50 HydrophobicContact CD1-CD1 4.43Å; E46-L50 VanDerWaalsContact O-CG 3.27Å; E46-L50 WeakPolarHBondContact O-CG 3.14Å; E46-L50 PolarHBondContact O-N 3.46Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.03Å |
| 51 | N | 60.5 | Low | 60.9 | Low | 73 Ų | 73 | 118 Ų | 118 | 39% | 0.39 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -80.6 | -27.1 | -178.5 | -74.4 | -60.3 | 0 | 0 | 0 | 113.9 | Y47 L48 | Y47-N51 WeakPolarHBondContact CD1-ND2 3.36Å; Y47-N51 WeakPolarHBondContact CE1-ND2 3.29Å; Y47-N51 WeakPolarHBondContact CE2-ND2 3.49Å; Y47-N51 PolarHBondContact O-N 3.28Å; Y47-N51 VanDerWaalsContact O-N 3.12Å; Y47-N51 PolarHBondContact O-ND2 3.02Å; L48-N51 PolarHBondContact O-N 2.93Å |
| 52 | N | 59.4 | Low | 60.7 | Low | 106 Ų | 106 | 113.5 Ų | 113.5 | 57% | 0.567 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -76.5 | -23.4 | 176.3 | -81.7 | 0.4 | 0 | 0 | 0 | 113.2 | L48 F54 N55 | L48-N52 WeakPolarHBondContact O-CB 3.32Å; L48-N52 PolarHBondContact O-N 2.85Å; N52-F54 PolarHBondContact O-N 2.92Å; N52-N55 PolarHBondContact O-N 2.96Å |
| 53 | K | 57.3 | Low | 60.1 | Low | 143 Ų | 143 | 118.9 Ų | 118.9 | 62% | 0.622 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -10 | 177.9 | -77.4 | 171.3 | 177.5 | -82.3 | 0 | 114.7 | T49 | T49-K53 WeakPolarHBondContact O-CG 3.4Š|
| 54 | F | 55.2 | Low | 59 | Low | 167 Ų | 167 | 120.8 Ų | 120.8 | 73% | 0.732 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -4.8 | 178.5 | -86.8 | -83.9 | 0 | 0 | 0 | 114 | N52 | N52-F54 PolarHBondContact O-N 2.92Š|
| 55 | N | 53.9 | Low | 57.9 | Low | 136 Ų | 136 | 120.9 Ų | 120.9 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -105.7 | 0.2 | -178.2 | -78.3 | -29.9 | 0 | 0 | 0 | 114.1 | N52 | N52-N55 PolarHBondContact O-N 2.96Š|
| 56 | D | 55 | Low | 57.1 | Low | 133 Ų | 133 | 126.4 Ų | 126.4 | 71% | 0.711 | 63% | 0.633 | S | S | * | * | trans | -92.3 | 0.8 | 177.6 | -67.6 | -32.7 | 0 | 0 | 0 | 113.2 | D58 | D56-D58 PolarHBondContact O-N 3.25Å; D56-D58 VanDerWaalsContact O-N 3.13Å | ||
| 57 | D | 55 | Low | 56.2 | Low | 136 Ų | 136 | 132.6 Ų | 132.6 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -87.1 | 83.1 | 174.7 | -70.4 | -39.9 | 0 | 0 | 0 | 110.5 | ||
| 58 | D | 54.6 | Low | 55.3 | Low | 108 Ų | 108 | 130.9 Ų | 130.9 | 58% | 0.578 | 66% | 0.661 | S | S | * | * | trans | -36.8 | 119.2 | 169.3 | -170.6 | -6.1 | 0 | 0 | 0 | 113.6 | D56 F60 | D56-D58 PolarHBondContact O-N 3.25Å; D56-D58 VanDerWaalsContact O-N 3.13Å; D58-F60 PolarHBondContact O-N 3.39Å; D58-F60 PolarHBondContact OD1-N 3.28Å | ||
| 59 | P | 58.2 | Low | 54.6 | Low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 1.9 | -179.1 | 26.8 | -32.4 | 0 | 0 | 0 | 114.6 | ||
| 60 | F | 55.8 | Low | 53.9 | Low | 174 Ų | 174 | 138 Ų | 138 | 76% | 0.763 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 24.8 | -176.5 | -78.9 | -82.4 | 0 | 0 | 0 | 115.5 | D58 P62 | D58-F60 PolarHBondContact O-N 3.39Å; D58-F60 PolarHBondContact OD1-N 3.28Å; F60-P62 WeakPolarHBondContact O-CD 3.24Å |
| 61 | N | 50.7 | Low | 53.3 | Low | 94 Ų | 94 | 144 Ų | 144 | 50% | 0.503 | 70% | 0.7 | S | S | . | * | trans | -97.8 | 93.7 | 173.5 | -169.3 | 3 | 0 | 0 | 0 | 112.9 | Y63 | N61-Y63 PolarHBondContact O-N 3.31Å; N61-Y63 VanDerWaalsContact O-N 3.13Å; N61-Y63 PolarHBondContact OD1-N 3.07Å | ||
| 62 | P | 56.1 | Low | 53 | Low | 102 Ų | 102 | 148 Ų | 148 | 66% | 0.662 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 15.2 | 177.1 | 32.8 | -37.8 | 0 | 0 | 0 | 114.4 | F60 | F60-P62 WeakPolarHBondContact O-CD 3.24Š|
| 63 | Y | 49.9 | Very low | 52.7 | Low | 200 Ų | 200 | 147.4 Ų | 147.4 | 78% | 0.784 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 16.1 | -175.6 | -67.4 | -77 | 0 | 0 | 0 | 115.3 | N61 | N61-Y63 PolarHBondContact O-N 3.31Å; N61-Y63 VanDerWaalsContact O-N 3.13Å; N61-Y63 PolarHBondContact OD1-N 3.07Å |
| 64 | S | 50.1 | Low | 52.6 | Low | 99 Ų | 99 | 149.5 Ų | 149.5 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | trans | -87.5 | -3 | 178.5 | 61.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 65 | D | 46.6 | Very low | 52.6 | Low | 130 Ų | 130 | 150 Ų | 150 | 70% | 0.695 | 71% | 0.714 | S | S | * | * | trans | -73.7 | 137.1 | 166.7 | -70.6 | -33.2 | 0 | 0 | 0 | 109.4 | ||||
| 66 | Y | 50.2 | Low | 52.7 | Low | 227 Ų | 227 | 150.8 Ų | 150.8 | 89% | 0.89 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 86.3 | 67.5 | -179.4 | -61.9 | -93.5 | 0 | 0 | 0 | 117.2 | ||
| 67 | R | 46.5 | Very low | 52.8 | Low | 233 Ų | 233 | 153.5 Ų | 153.5 | 88% | 0.879 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -170.3 | 109.4 | 134.7 | -110.4 | 161.5 | 168.8 | -149 | -3.1 | 113.3 | ||
| 68 | S | 47 | Very low | 53 | Low | 111 Ų | 111 | 153 Ų | 153 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | 60.7 | 82.4 | 137.4 | 177.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 69 | N | 49.9 | Very low | 53.2 | Low | 96 Ų | 96 | 154.8 Ų | 154.8 | 51% | 0.513 | 71% | 0.712 | S | S | . | * | trans | -139.3 | 13.1 | 164.2 | -85.8 | -38.3 | 0 | 0 | 0 | 116.9 | Y71 K72 | N69-Y71 PolarHBondContact O-N 3.39Å; N69-K72 PolarHBondContact O-N 3.33Å | ||
| 70 | Y | 53.9 | Low | 53.2 | Low | 219 Ų | 219 | 154.1 Ų | 154.1 | 86% | 0.859 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -9.7 | 179.3 | -84.7 | -79.9 | 0 | 0 | 0 | 115.8 | ||
| 71 | Y | 53.8 | Low | 53.5 | Low | 219 Ų | 219 | 151.3 Ų | 151.3 | 86% | 0.859 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -13.8 | -179.3 | -99.4 | -85.2 | 0 | 0 | 0 | 115.5 | N69 | N69-Y71 PolarHBondContact O-N 3.39Š|
| 72 | K | 54.3 | Low | 54.3 | Low | 158 Ų | 158 | 156.6 Ų | 156.6 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -19.2 | -178.5 | -79.2 | -172.2 | 176.3 | -178.7 | 0 | 114 | N69 Y74 | N69-K72 PolarHBondContact O-N 3.33Å; K72-Y74 VanDerWaalsContact C-N 3.32Å; K72-Y74 PolarHBondContact O-N 3.45Å |
| 73 | D | 53.3 | Low | 54.4 | Low | 93 Ų | 93 | 160.4 Ų | 160.4 | 50% | 0.497 | 73% | 0.727 | S | S | . | * | H | α-helix | trans | -72.4 | -25.1 | -177 | -63.7 | -20 | 0 | 0 | 0 | 113.2 | Y75 Y76 | D73-Y75 VanDerWaalsContact C-N 3.34Å; D73-Y75 PolarHBondContact O-N 3.07Å; D73-Y76 PolarHBondContact O-N 2.92Å |
| 74 | Y | 54.1 | Low | 54.7 | Low | 186 Ų | 186 | 156.1 Ų | 156.1 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -69.9 | -26.9 | -178.3 | -110.2 | -86.5 | 0 | 0 | 0 | 114.3 | K72 N78 | K72-Y74 VanDerWaalsContact C-N 3.32Å; K72-Y74 PolarHBondContact O-N 3.45Å; Y74-N78 PolarHBondContact O-ND2 3.46Å |
| 75 | Y | 56.8 | Low | 55.5 | Low | 179 Ų | 179 | 160.8 Ų | 160.8 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -92.1 | -26.1 | 178.6 | -81.8 | -84 | 0 | 0 | 0 | 113 | D73 | D73-Y75 VanDerWaalsContact C-N 3.34Å; D73-Y75 PolarHBondContact O-N 3.07Å |
| 76 | Y | 55.5 | Low | 56.3 | Low | 152 Ų | 152 | 166 Ų | 166 | 60% | 0.596 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -70.9 | -43 | -178.7 | -164.6 | -104.4 | 0 | 0 | 0 | 111.5 | D73 N78 H80 | D73-Y76 PolarHBondContact O-N 2.92Å; Y76-N78 VanDerWaalsContact C-N 3.35Å; Y76-N78 PolarHBondContact O-N 3.3Å; Y76-H80 AromaticContact CD1-NE2 3.84Å; Y76-H80 AromaticContact CE1-NE2 3.44Å; Y76-H80 WeakPolarHBondContact CE1-NE2 3.42Å; Y76-H80 AromaticContact CE2-NE2 3.68Å; Y76-H80 AromaticContact CZ-CE1 3.99Å; Y76-H80 AromaticContact CZ-NE2 3.34Å; Y76-H80 VanDerWaalsContact CZ-NE2 3.34Å; Y76-H80 PolarHBondContact O-CD2 2.94Å |
| 77 | Y | 57.2 | Low | 57.1 | Low | 190 Ų | 190 | 159 Ų | 159 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -14.3 | -174.6 | -90 | -83.5 | 0 | 0 | 0 | 116 | ||
| 78 | N | 58.5 | Low | 58 | Low | 125 Ų | 125 | 152.3 Ų | 152.3 | 67% | 0.668 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -10.6 | -175.3 | -79.9 | -40.9 | 0 | 0 | 0 | 115.1 | Y74 Y76 | Y74-N78 PolarHBondContact O-ND2 3.46Å; Y76-N78 VanDerWaalsContact C-N 3.35Å; Y76-N78 PolarHBondContact O-N 3.3Å |
| 79 | H | 59.9 | Low | 58.7 | Low | 146 Ų | 146 | 153.3 Ų | 153.3 | 68% | 0.676 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -109.6 | -2 | -175.9 | -75.9 | -61.9 | 0 | 0 | 0 | 115 | P81 | H79-P81 VanDerWaalsContact O-CD 3.27Å; H79-P81 WeakPolarHBondContact O-CD 3.36Å |
| 80 | H | 56.3 | Low | 59.4 | Low | 104 Ų | 104 | 159.1 Ų | 159.1 | 48% | 0.481 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -74 | 120.5 | 170.4 | -71.2 | -72.5 | 0 | 0 | 0 | 109.3 | Y76 K82 | Y76-H80 AromaticContact CD1-NE2 3.84Å; Y76-H80 AromaticContact CE1-NE2 3.44Å; Y76-H80 WeakPolarHBondContact CE1-NE2 3.42Å; Y76-H80 AromaticContact CE2-NE2 3.68Å; Y76-H80 AromaticContact CZ-CE1 3.99Å; Y76-H80 AromaticContact CZ-NE2 3.34Å; Y76-H80 VanDerWaalsContact CZ-NE2 3.34Å; Y76-H80 PolarHBondContact O-CD2 2.94Å; H80-K82 PolarHBondContact O-N 3.47Å |
| 81 | P | 63.1 | Low | 59.6 | Low | 114 Ų | 114 | 155.5 Ų | 155.5 | 74% | 0.74 | 72% | 0.721 | S | S | * | * | trans | -56.6 | 114.5 | 164.9 | 21.1 | -25.9 | 0 | 0 | 0 | 106.3 | H79 M83 | H79-P81 VanDerWaalsContact O-CD 3.27Å; H79-P81 WeakPolarHBondContact O-CD 3.36Å; P81-M83 PolarHBondContact O-N 3.34Å | ||
| 82 | K | 66.6 | Low | 59.8 | Low | 205 Ų | 205 | 148.8 Ų | 148.8 | 89% | 0.891 | 70% | 0.699 | S | S | * | * | trans | -43.7 | 117.3 | 177 | -69.7 | -179.9 | 179.2 | 178.6 | 0 | 107 | H80 S84 | H80-K82 PolarHBondContact O-N 3.47Å; K82-S84 PolarHBondContact O-N 3.12Å; K82-S84 VanDerWaalsContact O-N 3.14Å | ||
| 83 | M | 58.4 | Low | 60.1 | Low | 182 Ų | 182 | 144.1 Ų | 144.1 | 90% | 0.897 | 69% | 0.687 | S | S | * | * | trans | -41.1 | 122.4 | -168.2 | -74.7 | 170.7 | 64.5 | 0 | 0 | 110.6 | P81 K85 | P81-M83 PolarHBondContact O-N 3.34Å; M83-K85 PolarHBondContact O-N 2.73Å | ||
| 84 | S | 57.3 | Low | 60.4 | Low | 110 Ų | 110 | 145.8 Ų | 145.8 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | trans | -0.3 | 106.5 | 157.7 | -170.7 | 0 | 0 | 0 | 0 | 112.8 | K82 R86 | K82-S84 PolarHBondContact O-N 3.12Å; K82-S84 VanDerWaalsContact O-N 3.14Å; S84-R86 PolarHBondContact O-N 2.91Å | ||
| 85 | K | 66 | Low | 60.5 | Low | 198 Ų | 198 | 143.6 Ų | 143.6 | 86% | 0.861 | 69% | 0.69 | S | S | * | * | trans | -48.1 | 114.1 | 166.1 | -79.4 | -175.8 | 175.3 | -176.1 | 0 | 106.6 | M83 A87 | M83-K85 PolarHBondContact O-N 2.73Å; K85-A87 PolarHBondContact O-N 3.33Å | ||
| 86 | R | 63.5 | Low | 60.6 | Low | 239 Ų | 239 | 137.9 Ų | 137.9 | 90% | 0.902 | 68% | 0.677 | S | S | * | * | trans | -53.5 | 118.9 | 163.8 | -80.3 | 179 | 141.6 | 154.3 | -4.6 | 105.4 | S84 D88 | S84-R86 PolarHBondContact O-N 2.91Å; R86-D88 PolarHBondContact O-N 2.97Å | ||
| 87 | A | 66.6 | Low | 61.1 | Low | 80 Ų | 80 | 134 Ų | 134 | 66% | 0.661 | 67% | 0.666 | S | S | * | * | trans | -54.4 | 116.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | K85 L89 | K85-A87 PolarHBondContact O-N 3.33Å; A87-L89 PolarHBondContact O-N 3.45Å; A87-L89 VanDerWaalsContact O-N 3.09Å | ||
| 88 | D | 65.1 | Low | 61.5 | Low | 93 Ų | 93 | 129 Ų | 129 | 50% | 0.497 | 65% | 0.65 | S | S | . | * | trans | -71.7 | 107.5 | 177.6 | -159.7 | -15.7 | 0 | 0 | 0 | 106.3 | R86 R90 D91 | R86-D88 PolarHBondContact O-N 2.97Å; D88-R90 PolarHBondContact O-N 3.34Å; D88-R90 WeakPolarHBondContact OD1-CB 3.49Å; D88-R90 WeakPolarHBondContact OD1-CG 3.15Å; D88-R90 PolarHBondContact OD1-N 3.08Å; D88-D91 PolarHBondContact O-N 2.87Å | ||
| 89 | L | 63.4 | Low | 62.1 | Low | 132 Ų | 132 | 125.9 Ų | 125.9 | 69% | 0.691 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -7.1 | 179.7 | -64 | 174.6 | 0 | 0 | 0 | 111.8 | A87 D91 L92 | A87-L89 PolarHBondContact O-N 3.45Å; A87-L89 VanDerWaalsContact O-N 3.09Å; L89-D91 VanDerWaalsContact C-N 3.33Å; L89-L92 HydrophobicContact CD2-CD1 4.25Å; L89-L92 HydrophobicContact CD2-CD2 4.49Å; L89-L92 PolarHBondContact O-N 3.43Å |
| 90 | R | 63.8 | Low | 62.6 | Low | 218 Ų | 218 | 125.1 Ų | 125.1 | 82% | 0.823 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -24.6 | 171.4 | -64.6 | -177.5 | 173.5 | -169.7 | -0.4 | 113.4 | D88 L92 | D88-R90 PolarHBondContact O-N 3.34Å; D88-R90 WeakPolarHBondContact OD1-CB 3.49Å; D88-R90 WeakPolarHBondContact OD1-CG 3.15Å; D88-R90 PolarHBondContact OD1-N 3.08Å; R90-L92 VanDerWaalsContact C-N 3.34Å |
| 91 | D | 59 | Low | 63.4 | Low | 142 Ų | 142 | 124 Ų | 124 | 76% | 0.759 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -84.8 | -11.1 | 173.8 | -72.9 | -15 | 0 | 0 | 0 | 112.2 | D88 L89 S93 | D88-D91 PolarHBondContact O-N 2.87Å; L89-D91 VanDerWaalsContact C-N 3.33Å; D91-S93 VanDerWaalsContact C-N 3.35Å; D91-S93 PolarHBondContact O-N 2.84Å |
| 92 | L | 58.1 | Low | 63.8 | Low | 79 Ų | 79 | 126.5 Ų | 126.5 | 41% | 0.414 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -73.8 | 93.5 | 164.4 | -93.1 | 81.7 | 0 | 0 | 0 | 108.3 | L89 R90 I94 | L89-L92 HydrophobicContact CD2-CD1 4.25Å; L89-L92 HydrophobicContact CD2-CD2 4.49Å; L89-L92 PolarHBondContact O-N 3.43Å; R90-L92 VanDerWaalsContact C-N 3.34Å; L92-I94 PolarHBondContact O-N 3.27Å |
| 93 | S | 60.3 | Low | 64.2 | Low | 60 Ų | 60 | 122.9 Ų | 122.9 | 42% | 0.42 | 61% | 0.613 | S | S | . | * | trans | -54 | 130.7 | 170.3 | 173.8 | 0 | 0 | 0 | 0 | 110 | D91 H95 S96 | D91-S93 VanDerWaalsContact C-N 3.35Å; D91-S93 PolarHBondContact O-N 2.84Å; S93-H95 PolarHBondContact O-N 2.83Å; S93-H95 WeakPolarHBondContact OG-CB 3.39Å; S93-H95 PolarHBondContact OG-N 3.21Å; S93-H95 PolarHBondContact OG-ND1 3.06Å; S93-S96 PolarHBondContact O-N 3.02Å; S93-S96 PolarHBondContact O-OG 3.41Å | ||
| 94 | I | 59.3 | Low | 64.9 | Low | 127 Ų | 127 | 117.7 Ų | 117.7 | 65% | 0.651 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -48 | -24.3 | 172 | -61.9 | 165.8 | 0 | 0 | 0 | 111.9 | L92 M98 | L92-I94 PolarHBondContact O-N 3.27Å; I94-M98 HydrophobicContact CG2-CE 4.43Å; I94-M98 PolarHBondContact O-N 3.39Å |
| 95 | H | 56.5 | Low | 65.7 | Low | 140 Ų | 140 | 118.7 Ų | 118.7 | 65% | 0.648 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -77.6 | -27.9 | 179.1 | -59.5 | 72.7 | 0 | 0 | 0 | 113.8 | S93 A99 | S93-H95 PolarHBondContact O-N 2.83Å; S93-H95 WeakPolarHBondContact OG-CB 3.39Å; S93-H95 PolarHBondContact OG-N 3.21Å; S93-H95 PolarHBondContact OG-ND1 3.06Å; H95-A99 PolarHBondContact O-N 3.45Å |
| 96 | S | 59.3 | Low | 66 | Low | 60 Ų | 60 | 113.8 Ų | 113.8 | 42% | 0.42 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.7 | -37 | 172.7 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | S93 A99 F100 | S93-S96 PolarHBondContact O-N 3.02Å; S93-S96 PolarHBondContact O-OG 3.41Å; S96-A99 PolarHBondContact O-N 2.81Å; S96-F100 PolarHBondContact O-N 3.02Å; S96-F100 VanDerWaalsContact O-N 3.07Å |
| 97 | D | 64.2 | Low | 66 | Low | 71 Ų | 71 | 107.7 Ų | 107.7 | 38% | 0.38 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 179.6 | -75 | 4.5 | 0 | 0 | 0 | 111.4 | A99 F100 I101 | D97-A99 VanDerWaalsContact C-N 3.33Å; D97-A99 PolarHBondContact O-N 3.29Å; D97-F100 PolarHBondContact O-N 3.42Å; D97-I101 VanDerWaalsContact O-CB 3.32Å; D97-I101 WeakPolarHBondContact O-CB 3.34Å; D97-I101 WeakPolarHBondContact O-CD1 3.46Å; D97-I101 WeakPolarHBondContact O-CG1 3.38Å; D97-I101 PolarHBondContact O-N 3.33Å |
| 98 | M | 66 | Low | 65.9 | Low | 83 Ų | 83 | 110.1 Ų | 110.1 | 41% | 0.409 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 174.9 | -79.8 | -165.4 | -71.2 | 0 | 0 | 113 | I94 R102 | I94-M98 HydrophobicContact CG2-CE 4.43Å; I94-M98 PolarHBondContact O-N 3.39Å; M98-R102 WeakPolarHBondContact O-CB 3.43Å; M98-R102 VanDerWaalsContact O-CG 3.24Å; M98-R102 WeakPolarHBondContact O-CG 3.41Å; M98-R102 PolarHBondContact O-N 3.13Å |
| 99 | A | 70.5 | Confident | 65.7 | Low | 61 Ų | 61 | 109.6 Ų | 109.6 | 50% | 0.504 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H95 S96 D97 K103 | H95-A99 PolarHBondContact O-N 3.45Å; S96-A99 PolarHBondContact O-N 2.81Å; D97-A99 VanDerWaalsContact C-N 3.33Å; D97-A99 PolarHBondContact O-N 3.29Å; A99-K103 WeakPolarHBondContact O-CB 3.49Å; A99-K103 PolarHBondContact O-N 3.04Å |
| 100 | F | 72.2 | Confident | 65.6 | Low | 129 Ų | 129 | 109.6 Ų | 109.6 | 57% | 0.566 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.6 | -45.1 | 174.3 | 178.9 | -106.2 | 0 | 0 | 0 | 111.9 | S96 D97 K103 L104 | S96-F100 PolarHBondContact O-N 3.02Å; S96-F100 VanDerWaalsContact O-N 3.07Å; D97-F100 PolarHBondContact O-N 3.42Å; F100-K103 PolarHBondContact O-N 3.08Å; F100-L104 HydrophobicContact CD1-CD1 3.92Å; F100-L104 HydrophobicContact CE1-CD1 3.38Å; F100-L104 HydrophobicContact CE1-CG 4.13Å; F100-L104 HydrophobicContact CZ-CD1 3.76Å; F100-L104 HydrophobicContact CZ-CD2 4.39Å; F100-L104 HydrophobicContact CZ-CG 4.12Å; F100-L104 PolarHBondContact O-N 2.91Å |
| 101 | I | 71.8 | Confident | 65.5 | Low | 80 Ų | 80 | 103 Ų | 103 | 41% | 0.41 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 177.6 | -69.6 | 165.7 | 0 | 0 | 0 | 110.9 | D97 K103 L104 F105 | D97-I101 VanDerWaalsContact O-CB 3.32Å; D97-I101 WeakPolarHBondContact O-CB 3.34Å; D97-I101 WeakPolarHBondContact O-CD1 3.46Å; D97-I101 WeakPolarHBondContact O-CG1 3.38Å; D97-I101 PolarHBondContact O-N 3.33Å; I101-K103 PolarHBondContact O-N 3.02Å; I101-L104 WeakPolarHBondContact O-CB 3.48Å; I101-L104 PolarHBondContact O-N 3.02Å; I101-F105 HydrophobicContact CG2-CD2 3.69Å; I101-F105 HydrophobicContact CG2-CE2 3.4Å; I101-F105 WeakPolarHBondContact O-CD2 3.27Å; I101-F105 PolarHBondContact O-N 3.09Å |
| 102 | R | 71.9 | Confident | 65.5 | Low | 167 Ų | 167 | 101.3 Ų | 101.3 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.5 | -44.7 | 174.5 | -74.8 | 175 | -168.6 | -170.8 | 4.1 | 111.9 | M98 L104 F105 D106 | M98-R102 WeakPolarHBondContact O-CB 3.43Å; M98-R102 VanDerWaalsContact O-CG 3.24Å; M98-R102 WeakPolarHBondContact O-CG 3.41Å; M98-R102 PolarHBondContact O-N 3.13Å; R102-L104 VanDerWaalsContact C-N 3.31Å; R102-L104 PolarHBondContact O-N 3Å; R102-F105 PolarHBondContact O-N 2.92Å; R102-F105 VanDerWaalsContact O-N 3.15Å; R102-D106 PolarHBondContact O-N 3.48Å |
| 103 | K | 75.4 | Confident | 65.6 | Low | 130 Ų | 130 | 104.1 Ų | 104.1 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.1 | -37.4 | 177.1 | -170.8 | 177.2 | -179.1 | 179.9 | 0 | 112.6 | A99 F100 I101 D106 Q107 | A99-K103 WeakPolarHBondContact O-CB 3.49Å; A99-K103 PolarHBondContact O-N 3.04Å; F100-K103 PolarHBondContact O-N 3.08Å; I101-K103 PolarHBondContact O-N 3.02Å; K103-D106 PolarHBondContact O-N 3.15Å; K103-Q107 WeakPolarHBondContact O-CG 3.48Å; K103-Q107 PolarHBondContact O-N 3.19Å |
| 104 | L | 72.7 | Confident | 66.2 | Low | 73 Ų | 73 | 109.6 Ų | 109.6 | 38% | 0.382 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 173.8 | -78.2 | 175.3 | 0 | 0 | 0 | 111.9 | F100 I101 R102 Q107 K108 | F100-L104 HydrophobicContact CD1-CD1 3.92Å; F100-L104 HydrophobicContact CE1-CD1 3.38Å; F100-L104 HydrophobicContact CE1-CG 4.13Å; F100-L104 HydrophobicContact CZ-CD1 3.76Å; F100-L104 HydrophobicContact CZ-CD2 4.39Å; F100-L104 HydrophobicContact CZ-CG 4.12Å; F100-L104 PolarHBondContact O-N 2.91Å; I101-L104 WeakPolarHBondContact O-CB 3.48Å; I101-L104 PolarHBondContact O-N 3.02Å; R102-L104 VanDerWaalsContact C-N 3.31Å; R102-L104 PolarHBondContact O-N 3Å; L104-Q107 PolarHBondContact O-N 3.28Å; L104-K108 WeakPolarHBondContact O-CG 3.39Å; L104-K108 PolarHBondContact O-N 3.04Å |
| 105 | F | 74 | Confident | 66.6 | Low | 130 Ų | 130 | 110 Ų | 110 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 175.7 | -77.2 | -62.2 | 0 | 0 | 0 | 112.4 | I101 R102 Q107 K108 N109 | I101-F105 HydrophobicContact CG2-CD2 3.69Å; I101-F105 HydrophobicContact CG2-CE2 3.4Å; I101-F105 WeakPolarHBondContact O-CD2 3.27Å; I101-F105 PolarHBondContact O-N 3.09Å; R102-F105 PolarHBondContact O-N 2.92Å; R102-F105 VanDerWaalsContact O-N 3.15Å; F105-Q107 PolarHBondContact O-N 3.26Å; F105-K108 PolarHBondContact O-N 2.97Å; F105-N109 WeakPolarHBondContact O-CB 3.36Å; F105-N109 VanDerWaalsContact O-CG 3.32Å; F105-N109 PolarHBondContact O-N 3.27Å |
| 106 | D | 71.5 | Confident | 66.6 | Low | 95 Ų | 95 | 109.1 Ų | 109.1 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.3 | -43.5 | 176.4 | -68.8 | -21.2 | 0 | 0 | 0 | 111.2 | R102 K103 K108 N109 H110 | R102-D106 PolarHBondContact O-N 3.48Å; K103-D106 PolarHBondContact O-N 3.15Å; D106-K108 PolarHBondContact O-N 3.17Å; D106-N109 PolarHBondContact O-N 3.06Å; D106-H110 PolarHBondContact O-CD2 2.92Å; D106-H110 PolarHBondContact O-N 3.08Å |
| 107 | Q | 65.3 | Low | 67 | Low | 111 Ų | 111 | 111.6 Ų | 111.6 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.1 | -41.9 | 175.8 | -76.8 | -178.8 | -28.8 | 0 | 0 | 112.6 | K103 L104 F105 H110 E111 | K103-Q107 WeakPolarHBondContact O-CG 3.48Å; K103-Q107 PolarHBondContact O-N 3.19Å; L104-Q107 PolarHBondContact O-N 3.28Å; F105-Q107 PolarHBondContact O-N 3.26Å; Q107-H110 PolarHBondContact O-N 3.26Å; Q107-E111 PolarHBondContact O-N 2.96Å; Q107-E111 VanDerWaalsContact O-N 3.15Å |
| 108 | K | 62.8 | Low | 67.1 | Low | 131 Ų | 131 | 113.7 Ų | 113.7 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.6 | -36 | 178 | -69.6 | -68.1 | 177.5 | -173.5 | 0 | 112.4 | L104 F105 D106 E111 L112 | L104-K108 WeakPolarHBondContact O-CG 3.39Å; L104-K108 PolarHBondContact O-N 3.04Å; F105-K108 PolarHBondContact O-N 2.97Å; D106-K108 PolarHBondContact O-N 3.17Å; K108-E111 PolarHBondContact O-N 3.14Å; K108-L112 PolarHBondContact O-N 3.09Å |
| 109 | N | 62.2 | Low | 67.2 | Low | 83 Ų | 83 | 115.4 Ų | 115.4 | 44% | 0.444 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.4 | -37.1 | 173.4 | -76.9 | -15.2 | 0 | 0 | 0 | 111.9 | F105 D106 E111 L112 L113 | F105-N109 WeakPolarHBondContact O-CB 3.36Å; F105-N109 VanDerWaalsContact O-CG 3.32Å; F105-N109 PolarHBondContact O-N 3.27Å; D106-N109 PolarHBondContact O-N 3.06Å; N109-E111 VanDerWaalsContact C-N 3.33Å; N109-E111 PolarHBondContact O-N 3.13Å; N109-L112 PolarHBondContact O-N 2.93Å; N109-L113 WeakPolarHBondContact O-CB 3.27Å; N109-L113 VanDerWaalsContact O-CG 3.31Å; N109-L113 WeakPolarHBondContact O-CG 3.44Å; N109-L113 PolarHBondContact O-N 2.97Å |
| 110 | H | 60.4 | Low | 67 | Low | 131 Ų | 131 | 118.6 Ų | 118.6 | 61% | 0.606 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.6 | -34.4 | 172.8 | -77.7 | -58.9 | 0 | 0 | 0 | 112.8 | D106 Q107 R114 | D106-H110 PolarHBondContact O-CD2 2.92Å; D106-H110 PolarHBondContact O-N 3.08Å; Q107-H110 PolarHBondContact O-N 3.26Å; H110-R114 VanDerWaalsContact O-CB 3.29Å; H110-R114 WeakPolarHBondContact O-CB 3.38Å; H110-R114 PolarHBondContact O-N 3.34Å |
| 111 | E | 61.1 | Low | 66.7 | Low | 80 Ų | 80 | 118 Ų | 118 | 37% | 0.374 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71.2 | -38.6 | 172.7 | -69.7 | -140.3 | 129.1 | 0 | 0 | 112.7 | Q107 K108 N109 R114 L115 | Q107-E111 PolarHBondContact O-N 2.96Å; Q107-E111 VanDerWaalsContact O-N 3.15Å; K108-E111 PolarHBondContact O-N 3.14Å; N109-E111 VanDerWaalsContact C-N 3.33Å; N109-E111 PolarHBondContact O-N 3.13Å; E111-R114 WeakPolarHBondContact O-CB 3.43Å; E111-R114 PolarHBondContact O-N 3.5Å; E111-R114 IonicContact OE1-CZ 3.54Å; E111-R114 IonicContact OE1-NH1 3.71Å; E111-R114 IonicContact OE1-NH2 2.77Å; E111-R114 PolarHBondContact OE1-NH2 3.4Å; E111-L115 VanDerWaalsContact O-CG 3.24Å; E111-L115 WeakPolarHBondContact O-CG 2.93Å; E111-L115 PolarHBondContact O-N 3.19Å |
| 112 | L | 59 | Low | 66.3 | Low | 107 Ų | 107 | 120.5 Ų | 120.5 | 56% | 0.56 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.5 | -48.3 | 172.6 | -90.6 | 146.3 | 0 | 0 | 0 | 111.6 | K108 N109 R114 L115 G116 | K108-L112 PolarHBondContact O-N 3.09Å; N109-L112 PolarHBondContact O-N 2.93Å; L112-R114 PolarHBondContact O-N 3.41Å; L112-L115 PolarHBondContact O-N 3.32Å; L112-G116 PolarHBondContact O-N 3.31Å |
| 113 | L | 60.6 | Low | 65.9 | Low | 137 Ų | 137 | 117.2 Ų | 117.2 | 72% | 0.717 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.4 | -28.3 | 175.1 | -73.5 | 168.5 | 0 | 0 | 0 | 112.9 | N109 | N109-L113 WeakPolarHBondContact O-CB 3.27Å; N109-L113 VanDerWaalsContact O-CG 3.31Å; N109-L113 WeakPolarHBondContact O-CG 3.44Å; N109-L113 PolarHBondContact O-N 2.97Å |
| 114 | R | 72.7 | Confident | 65.2 | Low | 176 Ų | 176 | 116.2 Ų | 116.2 | 66% | 0.664 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.9 | -30.2 | 173.1 | -171.4 | -178.3 | 72.9 | -164.7 | -7.3 | 112.2 | H110 E111 L112 | H110-R114 VanDerWaalsContact O-CB 3.29Å; H110-R114 WeakPolarHBondContact O-CB 3.38Å; H110-R114 PolarHBondContact O-N 3.34Å; E111-R114 WeakPolarHBondContact O-CB 3.43Å; E111-R114 PolarHBondContact O-N 3.5Å; E111-R114 IonicContact OE1-CZ 3.54Å; E111-R114 IonicContact OE1-NH1 3.71Å; E111-R114 IonicContact OE1-NH2 2.77Å; E111-R114 PolarHBondContact OE1-NH2 3.4Å; L112-R114 PolarHBondContact O-N 3.41Å |
| 115 | L | 69.3 | Low | 64.6 | Low | 136 Ų | 136 | 119.8 Ų | 119.8 | 71% | 0.712 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -83.6 | -11.6 | -177.8 | -71.9 | 168 | 0 | 0 | 0 | 113.5 | E111 L112 | E111-L115 VanDerWaalsContact O-CG 3.24Å; E111-L115 WeakPolarHBondContact O-CG 2.93Å; E111-L115 PolarHBondContact O-N 3.19Å; L112-L115 PolarHBondContact O-N 3.32Å |
| 116 | G | 56.4 | Low | 63.7 | Low | 121 Ų | 121 | 118.9 Ų | 118.9 | 100% | 1.247 | 63% | 0.629 | S | S | * | * | trans | 78 | 0 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L112 | L112-G116 PolarHBondContact O-N 3.31Š|
Retrieved 116 of 116 residues in 136.2 ms
(Link to these results)