| 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 | 47.2 | Very low | 45.8 | Very low | 229 Ų | 229 | 148.9 Ų | 148.9 | 100% | 1.128 | 84% | 0.841 | S | S | * | * | 0 | 135.2 | 0 | -110.6 | 77.1 | 157.3 | 0 | 0 | 108.8 | |||||
| 2 | N | 39.5 | Very low | 46.1 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 80% | 0.797 | 85% | 0.849 | S | S | * | * | trans | 82 | 129 | 171 | -49.4 | -12.4 | 0 | 0 | 0 | 116 | ||||
| 3 | Q | 42.5 | Very low | 45.8 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | cis | -168 | 127.1 | -5.3 | -105.7 | -75.5 | 87 | 0 | 0 | 103.7 | ||||
| 4 | F | 42.3 | Very low | 45.5 | Very low | 212 Ų | 212 | 147.6 Ų | 147.6 | 93% | 0.93 | 83% | 0.833 | S | S | * | * | trans | -74 | 138.8 | 171.4 | -84.7 | -96.2 | 0 | 0 | 0 | 110 | ||||
| 5 | G | 47.1 | Very low | 45.5 | Very low | 70 Ų | 70 | 151.7 Ų | 151.7 | 72% | 0.722 | 84% | 0.838 | S | S | * | * | trans | -131.1 | 136.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 6 | P | 53.3 | Low | 45.3 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 78% | 0.779 | 83% | 0.833 | S | S | * | * | trans | -98.9 | 153.5 | -175.6 | 36.3 | -31 | 0 | 0 | 0 | 114 | ||||
| 7 | S | 46.6 | Very low | 44.8 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | trans | 73.3 | 116.2 | 149 | -58 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 8 | A | 45.5 | Very low | 45 | Very low | 96 Ų | 96 | 147.6 Ų | 147.6 | 79% | 0.793 | 83% | 0.83 | S | S | * | * | -153.3 | 103.5 | 129.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | I10 | A8-I10 PolarHBondContact O-N 2.89Š| |||
| 9 | L | 43.2 | Very low | 45.1 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 93% | 0.927 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 117.4 | 164.6 | -68 | 173.8 | 0 | 0 | 0 | 107.7 | ||
| 10 | I | 53.6 | Low | 45 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 126.6 | 168.3 | 48.8 | 170 | 0 | 0 | 0 | 109.9 | A8 | A8-I10 PolarHBondContact O-N 2.89Š|
| 11 | N | 43.2 | Very low | 44.7 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 69% | 0.69 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 125.3 | -168.1 | -178.4 | -18.9 | 0 | 0 | 0 | 112 | S13 | N11-S13 VanDerWaalsContact CG-OG 3.29Å; N11-S13 PolarHBondContact O-N 3.48Å; N11-S13 WeakPolarHBondContact OD1-CB 3.45Å; N11-S13 PolarHBondContact OD1-N 3.29Å; N11-S13 PolarHBondContact OD1-OG 2.84Å |
| 12 | L | 49.2 | Very low | 44.6 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | trans | -83.9 | 95 | 162.9 | -108.3 | 78.2 | 0 | 0 | 0 | 108.6 | ||||
| 13 | S | 42.3 | Very low | 44.5 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 59% | 0.587 | 79% | 0.793 | S | S | * | * | trans | -141.1 | 97.7 | 163.1 | 37.7 | 0 | 0 | 0 | 0 | 109.6 | N11 | N11-S13 VanDerWaalsContact CG-OG 3.29Å; N11-S13 PolarHBondContact O-N 3.48Å; N11-S13 WeakPolarHBondContact OD1-CB 3.45Å; N11-S13 PolarHBondContact OD1-N 3.29Å; N11-S13 PolarHBondContact OD1-OG 2.84Å | ||
| 14 | N | 42.1 | Very low | 44.3 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -144.2 | 67.6 | 160.3 | -143.3 | 61.4 | 0 | 0 | 0 | 109.4 | ||||
| 15 | F | 45.1 | Very low | 44.8 | Very low | 208 Ų | 208 | 132.6 Ų | 132.6 | 91% | 0.912 | 79% | 0.79 | S | S | * | * | trans | -95.5 | 111.4 | 163.5 | -123.3 | -89.1 | 0 | 0 | 0 | 106.7 | S17 | F15-S17 PolarHBondContact O-N 2.81Š| ||
| 16 | S | 42.6 | Very low | 44.8 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -74.6 | 116.9 | 174.6 | -164.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 17 | S | 35.6 | Very low | 44.9 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -89.9 | 126 | 172.5 | -161.3 | 0 | 0 | 0 | 0 | 108.6 | F15 | F15-S17 PolarHBondContact O-N 2.81Š| ||
| 18 | I | 49 | Very low | 44.6 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | -117.4 | 126 | 160.1 | -62.4 | -176.7 | 0 | 0 | 0 | 107.7 | ||||
| 19 | K | 47.9 | Very low | 44.1 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | trans | -67.2 | 148.6 | -168.7 | -179.9 | -177.1 | 176.1 | -172.9 | 0 | 114.2 | E21 | K19-E21 IonicContact NZ-OE2 3.87Š| ||
| 20 | P | 42.8 | Very low | 44.1 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -98.8 | 146.1 | 167.4 | 35.8 | -28 | 0 | 0 | 0 | 112.8 | ||||
| 21 | E | 37.9 | Very low | 43.4 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -169 | 168.1 | 158.1 | -125.1 | -164.1 | 116.3 | 0 | 0 | 111.9 | K19 | K19-E21 IonicContact NZ-OE2 3.87Š| ||
| 22 | P | 44.7 | Very low | 43.1 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | -125.6 | 170.2 | -93.9 | 41 | -26 | 0 | 0 | 0 | 116.8 | |||||
| 23 | A | 38 | Very low | 42.6 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | 59.2 | 120.9 | 148.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 24 | S | 39.2 | Very low | 42.4 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -161.4 | 120.6 | 132.4 | -77.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 25 | T | 51.8 | Low | 42.3 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | trans | -78.1 | 153.5 | 177.4 | -24.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 26 | P | 48 | Very low | 41.9 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | -133.6 | 160.2 | 129.2 | 16.5 | 4.2 | 0 | 0 | 0 | 113.9 | |||||
| 27 | P | 54 | Low | 41.9 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -92.9 | 169.2 | -164.3 | 36.9 | -34.3 | 0 | 0 | 0 | 115.6 | ||||
| 28 | Q | 40.1 | Very low | 42 | Very low | 198 Ų | 198 | 130.5 Ų | 130.5 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -44.4 | 160.4 | 176.7 | -69.5 | 161.4 | -92.3 | 0 | 0 | 118.2 | ||||
| 29 | G | 36.6 | Very low | 41.8 | Very low | 77 Ų | 77 | 131.7 Ų | 131.7 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 148.6 | 115.8 | 130.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 30 | S | 42 | Very low | 41.7 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -56.3 | 149.6 | 176.4 | -52.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 31 | M | 39.8 | Very low | 42 | Very low | 184 Ų | 184 | 131.8 Ų | 131.8 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | 167.4 | 152.5 | 109.9 | -92.9 | -144.1 | 160.2 | 0 | 0 | 115 | |||||
| 32 | A | 36.7 | Very low | 41.8 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | 79.3 | 96.3 | 153.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 33 | N | 38.2 | Very low | 42 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | trans | -72.1 | 115.7 | 156.3 | -123.4 | -1.4 | 0 | 0 | 0 | 108.6 | ||||
| 34 | S | 38 | Very low | 42.2 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -93.5 | 108.7 | 167.1 | -72.2 | 0 | 0 | 0 | 0 | 109.8 | T36 | S34-T36 PolarHBondContact O-N 3.06Š| ||
| 35 | T | 40.9 | Very low | 42.9 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -53.7 | 115.2 | 162.5 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | V37 | T35-V37 HydrophobicContact CG2-CG2 4Š| ||
| 36 | T | 35.7 | Very low | 42.6 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -122.4 | 109.1 | 151.7 | 48.1 | 0 | 0 | 0 | 0 | 108.2 | S34 V38 | S34-T36 PolarHBondContact O-N 3.06Å; T36-V38 PolarHBondContact O-N 3.13Å | ||
| 37 | V | 43.3 | Very low | 42.7 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -69.3 | 119.4 | 171.7 | 167.5 | 0 | 0 | 0 | 0 | 107.6 | T35 K39 | T35-V37 HydrophobicContact CG2-CG2 4Å; V37-K39 HydrophobicContact CG1-CB 4.23Å | ||
| 38 | V | 38 | Very low | 42.1 | Very low | 135 Ų | 135 | 122.5 Ų | 122.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -120.6 | 104.1 | 157.1 | -173.5 | 0 | 0 | 0 | 0 | 107.2 | T36 | T36-V38 PolarHBondContact O-N 3.13Š| ||
| 39 | K | 44.3 | Very low | 42.4 | Very low | 185 Ų | 185 | 123 Ų | 123 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -108.3 | 110.1 | 175 | 170.1 | -174.5 | -178.3 | 175.1 | 0 | 107.2 | V37 | V37-K39 HydrophobicContact CG1-CB 4.23Š| ||
| 40 | I | 46.4 | Very low | 42.9 | Very low | 157 Ų | 157 | 126 Ų | 126 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -146.3 | 138.5 | 153.2 | -49.2 | 178 | 0 | 0 | 0 | 108.5 | ||||
| 41 | P | 47.3 | Very low | 42.8 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | -104.6 | 170.3 | -156.1 | 40.2 | -30 | 0 | 0 | 0 | 113.1 | ||||
| 42 | G | 34.1 | Very low | 43.5 | Very low | 71 Ų | 71 | 119.6 Ų | 119.6 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | 143.7 | 95.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 43 | T | 48.4 | Very low | 44.1 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | -56.5 | 137.8 | 150.9 | -0.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 44 | P | 43.8 | Very low | 44.8 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | -131.2 | 134.5 | 97 | 17 | 3.2 | 0 | 0 | 0 | 109.7 | |||||
| 45 | G | 53.5 | Low | 46 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | 61.6 | 56.4 | 62.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 46 | T | 46.2 | Very low | 47.4 | Very low | 126 Ų | 126 | 121 Ų | 121 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -137.2 | 89.4 | 165.3 | -17.1 | 0 | 0 | 0 | 0 | 108.4 | G48 | T46-G48 VanDerWaalsContact C-N 3.33Å; T46-G48 PolarHBondContact O-N 3.17Å | ||
| 47 | G | 48.6 | Very low | 49.5 | Very low | 73 Ų | 73 | 119.7 Ų | 119.7 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | trans | -56.7 | 105.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | R49 | G47-R49 PolarHBondContact O-N 3.29Š| ||
| 48 | G | 41.9 | Very low | 51.7 | Low | 68 Ų | 68 | 116.2 Ų | 116.2 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | -69.3 | 69 | 155 | 0 | 0 | 0 | 0 | 0 | 107.7 | T46 L50 | T46-G48 VanDerWaalsContact C-N 3.33Å; T46-G48 PolarHBondContact O-N 3.17Å; G48-L50 PolarHBondContact O-N 3.17Å | ||
| 49 | R | 46.4 | Very low | 54.3 | Low | 210 Ų | 210 | 113.4 Ų | 113.4 | 79% | 0.792 | 68% | 0.679 | S | S | * | * | trans | -66.3 | 91.1 | 157.3 | -165.4 | 174.9 | 177.6 | -115.6 | 0.3 | 103 | G47 S51 | G47-R49 PolarHBondContact O-N 3.29Å; R49-S51 PolarHBondContact O-N 3.45Å | ||
| 50 | L | 47.6 | Very low | 56.6 | Low | 138 Ų | 138 | 107.2 Ų | 107.2 | 72% | 0.723 | 65% | 0.652 | S | S | * | * | trans | -47 | 113.9 | 162.4 | -60.6 | 171.5 | 0 | 0 | 0 | 104.1 | G48 P52 | G48-L50 PolarHBondContact O-N 3.17Å; L50-P52 VanDerWaalsContact O-CD 3.31Å; L50-P52 WeakPolarHBondContact O-CD 3.44Å | ||
| 51 | S | 40.4 | Very low | 58.9 | Low | 83 Ų | 83 | 106.6 Ų | 106.6 | 58% | 0.58 | 64% | 0.643 | S | S | * | * | trans | -51.2 | 119.1 | 173.7 | -90.3 | 0 | 0 | 0 | 0 | 106.7 | R49 E53 | R49-S51 PolarHBondContact O-N 3.45Å; S51-E53 PolarHBondContact O-N 3.09Å | ||
| 52 | P | 52.9 | Low | 61.1 | Low | 87 Ų | 87 | 106.6 Ų | 106.6 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -63.5 | -16.9 | -176 | 23.9 | -31.9 | 0 | 0 | 0 | 112 | L50 N54 | L50-P52 VanDerWaalsContact O-CD 3.31Å; L50-P52 WeakPolarHBondContact O-CD 3.44Å; P52-N54 VanDerWaalsContact C-N 3.33Å; P52-N54 PolarHBondContact O-N 3.41Å |
| 53 | E | 50.9 | Low | 64 | Low | 177 Ų | 177 | 103.8 Ų | 103.8 | 83% | 0.827 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -66 | -22.2 | -177.1 | -83.1 | -171.8 | 87.2 | 0 | 0 | 115.8 | S51 | S51-E53 PolarHBondContact O-N 3.09Š|
| 54 | N | 52.9 | Low | 66.2 | Low | 150 Ų | 150 | 100.2 Ų | 100.2 | 80% | 0.802 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -98.3 | 0.7 | -176 | -136.2 | -42.3 | 0 | 0 | 0 | 114.4 | P52 | P52-N54 VanDerWaalsContact C-N 3.33Å; P52-N54 PolarHBondContact O-N 3.41Å |
| 55 | N | 61.9 | Low | 68.7 | Low | 121 Ų | 121 | 97.8 Ų | 97.8 | 65% | 0.647 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -106 | 0.7 | 177.1 | -78.9 | 3.2 | 0 | 0 | 0 | 112.9 | V57 | N55-V57 PolarHBondContact O-N 2.9Å; N55-V57 VanDerWaalsContact O-N 3.1Å |
| 56 | Q | 70 | Confident | 70.7 | Confident | 73 Ų | 73 | 98.6 Ų | 98.6 | 34% | 0.341 | 54% | 0.54 | S | S | . | . | trans | -73.4 | 108.1 | -178.8 | -155.7 | 178.5 | 42.3 | 0 | 0 | 109.9 | L58 | Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 WeakPolarHBondContact CG-O 3.44Å | ||
| 57 | V | 80.6 | Confident | 73.1 | Confident | 98 Ų | 98 | 93.9 Ų | 93.9 | 59% | 0.594 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -74.6 | -23.3 | -177.3 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | N55 D89 I92 | N55-V57 PolarHBondContact O-N 2.9Å; N55-V57 VanDerWaalsContact O-N 3.1Å; V57-D89 WeakPolarHBondContact CG2-OD1 3.31Å; V57-I92 HydrophobicContact CB-CD1 4.29Å; V57-I92 HydrophobicContact CG2-CD1 3.24Å |
| 58 | L | 89.8 | Confident | 75.3 | Confident | 46 Ų | 46 | 96.7 Ų | 96.7 | 24% | 0.241 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -116.8 | 116.4 | 174.6 | -178.2 | 62.4 | 0 | 0 | 0 | 110.4 | Q56 K62 L85 A88 | Q56-L58 VanDerWaalsContact C-N 3.31Å; Q56-L58 WeakPolarHBondContact CG-O 3.44Å; L58-K62 HydrophobicContact CD1-CB 4Å; L58-K62 HydrophobicContact CD1-CG 4.01Å; L58-L85 HydrophobicContact CB-CD2 4.15Å; L58-L85 HydrophobicContact CD2-CD2 3.9Å; L58-L85 HydrophobicContact CG-CD2 3.82Å; L58-L85 WeakPolarHBondContact O-CD2 3.27Å; L58-A88 HydrophobicContact CD2-CB 4.08Å |
| 59 | T | 92.9 | Very high | 77.9 | Confident | 77 Ų | 77 | 101 Ų | 101 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | trans | -79.9 | 147.4 | 176.1 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | K61 K62 L63 | T59-K61 PolarHBondContact O-N 3.47Å; T59-K62 PolarHBondContact O-N 3.41Å; T59-K62 WeakPolarHBondContact OG1-CB 3.38Å; T59-K62 PolarHBondContact OG1-N 3Å; T59-L63 PolarHBondContact O-N 3.1Å; T59-L63 VanDerWaalsContact O-N 3.1Å | ||
| 60 | K | 92.6 | Very high | 80.3 | Confident | 55 Ų | 55 | 96.5 Ų | 96.5 | 24% | 0.239 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -49.5 | -41.5 | 172.8 | -164.6 | 168.3 | -168.2 | 158.3 | 0 | 113.4 | K62 L63 Q64 E78 E81 E82 L85 | K60-K62 VanDerWaalsContact C-N 3.34Å; K60-K62 PolarHBondContact O-N 3.28Å; K60-L63 WeakPolarHBondContact O-CB 3.42Å; K60-L63 PolarHBondContact O-N 3.35Å; K60-Q64 WeakPolarHBondContact O-CG 3.42Å; K60-Q64 PolarHBondContact O-N 3.01Å; K60-E78 IonicContact NZ-OE1 3.86Å; K60-E78 PolarHBondContact NZ-OE1 3.49Å; K60-E81 WeakPolarHBondContact CE-OE2 3.46Å; K60-E81 IonicContact NZ-OE2 3.32Å; K60-E82 IonicContact NZ-OE1 3.7Å; K60-E82 PolarHBondContact NZ-OE1 3.12Å; K60-L85 HydrophobicContact CB-CD1 4.36Å |
| 61 | K | 93.4 | Very high | 82.6 | Confident | 144 Ų | 144 | 92.8 Ų | 92.8 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.6 | -44.8 | 175.1 | -177 | -177 | 172.4 | 70.4 | 0 | 112.4 | T59 Q64 D65 | T59-K61 PolarHBondContact O-N 3.47Å; K61-Q64 PolarHBondContact O-N 3Å; K61-D65 VanDerWaalsContact O-CG 3.3Å; K61-D65 PolarHBondContact O-N 3.33Å |
| 62 | K | 94.7 | Very high | 85.2 | Confident | 123 Ų | 123 | 93.4 Ų | 93.4 | 54% | 0.535 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.5 | -33.6 | -178.1 | -169.3 | 59 | 174 | 168.1 | 0 | 111.8 | L58 T59 K60 D65 L66 | L58-K62 HydrophobicContact CD1-CB 4Å; L58-K62 HydrophobicContact CD1-CG 4.01Å; T59-K62 PolarHBondContact O-N 3.41Å; T59-K62 WeakPolarHBondContact OG1-CB 3.38Å; T59-K62 PolarHBondContact OG1-N 3Å; K60-K62 VanDerWaalsContact C-N 3.34Å; K60-K62 PolarHBondContact O-N 3.28Å; K62-D65 PolarHBondContact O-N 3.38Å; K62-L66 WeakPolarHBondContact O-CB 3.46Å; K62-L66 PolarHBondContact O-N 2.99Å |
| 63 | L | 95.4 | Very high | 87.1 | Confident | 12 Ų | 12 | 96.3 Ų | 96.3 | 6% | 0.063 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 170.4 | 177.8 | 62.6 | 0 | 0 | 0 | 110.8 | T59 K60 D65 L66 V67 E81 L84 L85 | T59-L63 PolarHBondContact O-N 3.1Å; T59-L63 VanDerWaalsContact O-N 3.1Å; K60-L63 WeakPolarHBondContact O-CB 3.42Å; K60-L63 PolarHBondContact O-N 3.35Å; L63-D65 VanDerWaalsContact C-N 3.34Å; L63-D65 PolarHBondContact O-N 2.91Å; L63-L66 WeakPolarHBondContact O-CB 3.46Å; L63-L66 PolarHBondContact O-N 2.88Å; L63-L66 VanDerWaalsContact O-N 3.12Å; L63-V67 HydrophobicContact CD1-CG2 4.46Å; L63-V67 WeakPolarHBondContact O-CG2 2.76Å; L63-V67 PolarHBondContact O-N 3.02Å; L63-E81 HydrophobicContact CD2-CB 4.04Å; L63-E81 HydrophobicContact CD2-CG 4.32Å; L63-L84 HydrophobicContact CD1-CD1 4.44Å; L63-L84 HydrophobicContact CD2-CB 4.19Å; L63-L85 HydrophobicContact CB-CD2 4.4Å; L63-L85 HydrophobicContact CD2-CD2 4.11Å; L63-L85 HydrophobicContact CD2-CG 4.01Å |
| 64 | Q | 94.9 | Very high | 89.1 | Confident | 65 Ų | 65 | 93 Ų | 93 | 30% | 0.304 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 177.9 | -71.4 | 176.4 | -7.8 | 0 | 0 | 113 | K60 K61 L66 V67 R68 E81 | K60-Q64 WeakPolarHBondContact O-CG 3.42Å; K60-Q64 PolarHBondContact O-N 3.01Å; K61-Q64 PolarHBondContact O-N 3Å; Q64-L66 VanDerWaalsContact C-N 3.3Å; Q64-L66 PolarHBondContact O-N 3Å; Q64-V67 PolarHBondContact O-N 3Å; Q64-R68 WeakPolarHBondContact O-CG 3.24Å; Q64-R68 PolarHBondContact O-N 3.26Å; Q64-R68 VanDerWaalsContact O-N 3.09Å; Q64-E81 VanDerWaalsContact CG-OE1 3.24Å; Q64-E81 WeakPolarHBondContact CG-OE1 3.32Å; Q64-E81 PolarHBondContact NE2-OE1 3Å; Q64-E81 PolarHBondContact NE2-OE2 3.09Å |
| 65 | D | 95.3 | Very high | 91 | Very high | 54 Ų | 54 | 94.7 Ų | 94.7 | 29% | 0.289 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 175.6 | -68.4 | -22.6 | 0 | 0 | 0 | 111.3 | K61 K62 L63 R68 E69 | K61-D65 VanDerWaalsContact O-CG 3.3Å; K61-D65 PolarHBondContact O-N 3.33Å; K62-D65 PolarHBondContact O-N 3.38Å; L63-D65 VanDerWaalsContact C-N 3.34Å; L63-D65 PolarHBondContact O-N 2.91Å; D65-R68 IonicContact OD1-CZ 2.94Å; D65-R68 IonicContact OD1-NH1 3.52Å; D65-R68 PolarHBondContact OD1-NH1 3.29Å; D65-R68 IonicContact OD1-NH2 3.96Å; D65-E69 PolarHBondContact O-N 3.18Å; D65-E69 VanDerWaalsContact O-N 3.17Å |
| 66 | L | 95.8 | Very high | 92.6 | Very high | 90 Ų | 90 | 90.6 Ų | 90.6 | 47% | 0.471 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | 175.5 | -178.6 | 65.7 | 0 | 0 | 0 | 112.1 | K62 L63 Q64 R68 E69 V70 | K62-L66 WeakPolarHBondContact O-CB 3.46Å; K62-L66 PolarHBondContact O-N 2.99Å; L63-L66 WeakPolarHBondContact O-CB 3.46Å; L63-L66 PolarHBondContact O-N 2.88Å; L63-L66 VanDerWaalsContact O-N 3.12Å; Q64-L66 VanDerWaalsContact C-N 3.3Å; Q64-L66 PolarHBondContact O-N 3Å; L66-R68 VanDerWaalsContact C-N 3.33Å; L66-R68 PolarHBondContact O-N 3.43Å; L66-E69 WeakPolarHBondContact O-CB 3.44Å; L66-E69 PolarHBondContact O-N 3.04Å; L66-E69 VanDerWaalsContact O-N 3.17Å; L66-V70 WeakPolarHBondContact O-CG2 3.35Å; L66-V70 PolarHBondContact O-N 3.31Å; L66-V70 VanDerWaalsContact O-N 3.13Å |
| 67 | V | 96.1 | Very high | 93.9 | Very high | 27 Ų | 27 | 93 Ų | 93 | 16% | 0.164 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 176.2 | 173 | 0 | 0 | 0 | 0 | 110.2 | L63 Q64 E69 V70 D71 L76 | L63-V67 HydrophobicContact CD1-CG2 4.46Å; L63-V67 WeakPolarHBondContact O-CG2 2.76Å; L63-V67 PolarHBondContact O-N 3.02Å; Q64-V67 PolarHBondContact O-N 3Å; V67-E69 VanDerWaalsContact C-N 3.26Å; V67-E69 PolarHBondContact O-N 3.17Å; V67-V70 PolarHBondContact O-N 2.95Å; V67-D71 CarbonylContact O-C 3.55Å; V67-D71 PolarHBondContact O-N 3.03Å; V67-D71 VanDerWaalsContact O-O 3.11Å; V67-L76 HydrophobicContact CG1-CG 4.39Å; V67-L76 HydrophobicContact CG2-CD1 3.63Å; V67-L76 HydrophobicContact CG2-CG 4.3Å |
| 68 | R | 95.7 | Very high | 94.5 | Very high | 133 Ų | 133 | 94.4 Ų | 94.4 | 50% | 0.502 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.7 | -27.5 | 177.8 | -68.9 | -171 | -135.7 | 114.2 | 6.9 | 114 | Q64 D65 L66 | Q64-R68 WeakPolarHBondContact O-CG 3.24Å; Q64-R68 PolarHBondContact O-N 3.26Å; Q64-R68 VanDerWaalsContact O-N 3.09Å; D65-R68 IonicContact OD1-CZ 2.94Å; D65-R68 IonicContact OD1-NH1 3.52Å; D65-R68 PolarHBondContact OD1-NH1 3.29Å; D65-R68 IonicContact OD1-NH2 3.96Å; L66-R68 VanDerWaalsContact C-N 3.33Å; L66-R68 PolarHBondContact O-N 3.43Å |
| 69 | E | 96.4 | Very high | 94.8 | Very high | 157 Ų | 157 | 98.7 Ų | 98.7 | 73% | 0.734 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.7 | -34.7 | 173.7 | -173.7 | 177.7 | 167 | 0 | 0 | 111.5 | D65 L66 V67 | D65-E69 PolarHBondContact O-N 3.18Å; D65-E69 VanDerWaalsContact O-N 3.17Å; L66-E69 WeakPolarHBondContact O-CB 3.44Å; L66-E69 PolarHBondContact O-N 3.04Å; L66-E69 VanDerWaalsContact O-N 3.17Å; V67-E69 VanDerWaalsContact C-N 3.26Å; V67-E69 PolarHBondContact O-N 3.17Å |
| 70 | V | 96.2 | Very high | 95 | Very high | 117 Ų | 117 | 97.5 Ų | 97.5 | 71% | 0.709 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -79.6 | -51.9 | 178.3 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | L66 V67 | L66-V70 WeakPolarHBondContact O-CG2 3.35Å; L66-V70 PolarHBondContact O-N 3.31Å; L66-V70 VanDerWaalsContact O-N 3.13Å; V67-V70 PolarHBondContact O-N 2.95Å |
| 71 | D | 95.5 | Very high | 95.1 | Very high | 59 Ų | 59 | 95.7 Ų | 95.7 | 32% | 0.316 | 48% | 0.479 | S | S | . | . | trans | -143.3 | 112.4 | 173.7 | -170.1 | -16.8 | 0 | 0 | 0 | 110.5 | V67 N73 E74 | V67-D71 CarbonylContact O-C 3.55Å; V67-D71 PolarHBondContact O-N 3.03Å; V67-D71 VanDerWaalsContact O-O 3.11Å; D71-N73 PolarHBondContact O-N 3.31Å; D71-N73 PolarHBondContact OD1-N 3.26Å; D71-E74 HydrophobicContact CB-CB 3.99Å; D71-E74 PolarHBondContact O-N 3.29Å | ||
| 72 | P | 94.6 | Very high | 95.2 | Very high | 96 Ų | 96 | 92.9 Ų | 92.9 | 62% | 0.623 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -14.3 | 180 | 29.2 | -35.7 | 0 | 0 | 0 | 114.4 | ||
| 73 | N | 94.4 | Very high | 95.3 | Very high | 149 Ų | 149 | 92.2 Ų | 92.2 | 80% | 0.797 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -10.2 | -178.5 | -54.9 | -57.1 | 0 | 0 | 0 | 113.2 | D71 | D71-N73 PolarHBondContact O-N 3.31Å; D71-N73 PolarHBondContact OD1-N 3.26Å |
| 74 | E | 93.1 | Very high | 95.3 | Very high | 108 Ų | 108 | 94.7 Ų | 94.7 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | trans | -87.8 | 134 | -178.6 | -170.4 | 164.9 | -158.3 | 0 | 0 | 110.8 | D71 | D71-E74 HydrophobicContact CB-CB 3.99Å; D71-E74 PolarHBondContact O-N 3.29Å | ||
| 75 | Q | 92.4 | Very high | 95.3 | Very high | 184 Ų | 184 | 91.7 Ų | 91.7 | 86% | 0.86 | 47% | 0.467 | S | S | * | . | trans | -128.2 | 116.5 | 176.5 | -172.2 | 155.1 | 15 | 0 | 0 | 109.1 | ||||
| 76 | L | 94.7 | Very high | 95.2 | Very high | 36 Ų | 36 | 94.2 Ų | 94.2 | 19% | 0.188 | 48% | 0.477 | C | S | . | . | trans | -77.7 | 142.6 | -179.9 | -62.3 | -178.8 | 0 | 0 | 0 | 110.8 | V67 V80 E81 L84 | V67-L76 HydrophobicContact CG1-CG 4.39Å; V67-L76 HydrophobicContact CG2-CD1 3.63Å; V67-L76 HydrophobicContact CG2-CG 4.3Å; L76-V80 HydrophobicContact CD2-CG1 4.16Å; L76-E81 HydrophobicContact CB-CG 3.76Å; L76-E81 HydrophobicContact CD1-CG 4.28Å; L76-L84 HydrophobicContact CD1-CD1 3.63Å | ||
| 77 | D | 96.6 | Very high | 95.3 | Very high | 123 Ų | 123 | 94.2 Ų | 94.2 | 66% | 0.658 | 48% | 0.477 | S | S | * | . | trans | -69.1 | 152.9 | 167.3 | -71.1 | -35 | 0 | 0 | 0 | 110.5 | D79 V80 E81 | D77-D79 VanDerWaalsContact C-N 3.33Å; D77-D79 PolarHBondContact O-N 3.42Å; D77-V80 HydrophobicContact CB-CG2 4.26Å; D77-V80 WeakPolarHBondContact O-CB 3.32Å; D77-V80 PolarHBondContact O-N 3.1Å; D77-E81 PolarHBondContact O-N 3.36Å | ||
| 78 | E | 95.3 | Very high | 95.2 | Very high | 127 Ų | 127 | 94.1 Ų | 94.1 | 59% | 0.593 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -56.1 | -44.7 | -177.6 | 176.8 | 157.8 | -139.7 | 0 | 0 | 112.6 | K60 V80 E81 E82 | K60-E78 IonicContact NZ-OE1 3.86Å; K60-E78 PolarHBondContact NZ-OE1 3.49Å; E78-V80 PolarHBondContact O-N 3.01Å; E78-E81 PolarHBondContact O-N 3.01Å; E78-E81 VanDerWaalsContact O-N 3.17Å; E78-E82 WeakPolarHBondContact O-CG 3.43Å; E78-E82 PolarHBondContact O-N 3.07Å |
| 79 | D | 95.6 | Very high | 95.1 | Very high | 137 Ų | 137 | 90 Ų | 90 | 73% | 0.733 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.1 | -31.7 | 179 | -65.5 | -31.1 | 0 | 0 | 0 | 112.6 | D77 M83 | D77-D79 VanDerWaalsContact C-N 3.33Å; D77-D79 PolarHBondContact O-N 3.42Å; D79-M83 WeakPolarHBondContact O-CB 3.39Å; D79-M83 PolarHBondContact O-N 2.97Å; D79-M83 VanDerWaalsContact O-N 3.09Å |
| 80 | V | 96.9 | Very high | 95.1 | Very high | 52 Ų | 52 | 86.3 Ų | 86.3 | 32% | 0.315 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -74.7 | -40.8 | 177.6 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | L76 D77 E78 M83 L84 | L76-V80 HydrophobicContact CD2-CG1 4.16Å; D77-V80 HydrophobicContact CB-CG2 4.26Å; D77-V80 WeakPolarHBondContact O-CB 3.32Å; D77-V80 PolarHBondContact O-N 3.1Å; E78-V80 PolarHBondContact O-N 3.01Å; V80-M83 PolarHBondContact O-N 3.16Å; V80-L84 HydrophobicContact CG1-CD1 4.27Å; V80-L84 HydrophobicContact CG1-CG 4.48Å; V80-L84 WeakPolarHBondContact O-CG 3.37Å; V80-L84 PolarHBondContact O-N 3.45Å |
| 81 | E | 94.9 | Very high | 95.1 | Very high | 16 Ų | 16 | 83.8 Ų | 83.8 | 8% | 0.075 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 174.1 | -67.1 | -172.7 | 159.8 | 0 | 0 | 110.9 | K60 L63 Q64 L76 D77 E78 M83 L84 L85 | K60-E81 WeakPolarHBondContact CE-OE2 3.46Å; K60-E81 IonicContact NZ-OE2 3.32Å; L63-E81 HydrophobicContact CD2-CB 4.04Å; L63-E81 HydrophobicContact CD2-CG 4.32Å; Q64-E81 VanDerWaalsContact CG-OE1 3.24Å; Q64-E81 WeakPolarHBondContact CG-OE1 3.32Å; Q64-E81 PolarHBondContact NE2-OE1 3Å; Q64-E81 PolarHBondContact NE2-OE2 3.09Å; L76-E81 HydrophobicContact CB-CG 3.76Å; L76-E81 HydrophobicContact CD1-CG 4.28Å; D77-E81 PolarHBondContact O-N 3.36Å; E78-E81 PolarHBondContact O-N 3.01Å; E78-E81 VanDerWaalsContact O-N 3.17Å; E81-M83 VanDerWaalsContact C-N 3.34Å; E81-M83 PolarHBondContact O-N 3.38Å; E81-L84 PolarHBondContact O-N 3.37Å; E81-L85 WeakPolarHBondContact O-CG 3.47Å; E81-L85 PolarHBondContact O-N 2.98Å |
| 82 | E | 94.6 | Very high | 95.1 | Very high | 86 Ų | 86 | 84.1 Ų | 84.1 | 40% | 0.402 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 178.2 | -61.9 | -55 | 146.2 | 0 | 0 | 112 | K60 E78 L85 Q86 | K60-E82 IonicContact NZ-OE1 3.7Å; K60-E82 PolarHBondContact NZ-OE1 3.12Å; E78-E82 WeakPolarHBondContact O-CG 3.43Å; E78-E82 PolarHBondContact O-N 3.07Å; E82-L85 PolarHBondContact O-N 3.15Å; E82-Q86 PolarHBondContact O-N 3.41Å |
| 83 | M | 96.2 | Very high | 95.1 | Very high | 109 Ų | 109 | 85.8 Ų | 85.8 | 54% | 0.537 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 175.7 | -175.5 | 179.5 | 66.5 | 0 | 0 | 112.1 | D79 V80 E81 Q86 I87 | D79-M83 WeakPolarHBondContact O-CB 3.39Å; D79-M83 PolarHBondContact O-N 2.97Å; D79-M83 VanDerWaalsContact O-N 3.09Å; V80-M83 PolarHBondContact O-N 3.16Å; E81-M83 VanDerWaalsContact C-N 3.34Å; E81-M83 PolarHBondContact O-N 3.38Å; M83-Q86 PolarHBondContact O-N 2.9Å; M83-I87 HydrophobicContact CG-CD1 4.07Å; M83-I87 VanDerWaalsContact O-CG1 3.27Å; M83-I87 WeakPolarHBondContact O-CG1 3.43Å; M83-I87 PolarHBondContact O-N 3.42Å |
| 84 | L | 96 | Very high | 95.3 | Very high | 64 Ų | 64 | 81.4 Ų | 81.4 | 34% | 0.335 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 177.7 | -72.3 | 174.1 | 0 | 0 | 0 | 112.2 | L63 L76 V80 E81 I87 A88 | L63-L84 HydrophobicContact CD1-CD1 4.44Å; L63-L84 HydrophobicContact CD2-CB 4.19Å; L76-L84 HydrophobicContact CD1-CD1 3.63Å; V80-L84 HydrophobicContact CG1-CD1 4.27Å; V80-L84 HydrophobicContact CG1-CG 4.48Å; V80-L84 WeakPolarHBondContact O-CG 3.37Å; V80-L84 PolarHBondContact O-N 3.45Å; E81-L84 PolarHBondContact O-N 3.37Å; L84-I87 PolarHBondContact O-N 3.02Å; L84-A88 PolarHBondContact O-N 3.46Å |
| 85 | L | 94.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 174.1 | -70 | 173.2 | 0 | 0 | 0 | 111 | L58 K60 L63 E81 E82 I87 A88 D89 | L58-L85 HydrophobicContact CB-CD2 4.15Å; L58-L85 HydrophobicContact CD2-CD2 3.9Å; L58-L85 HydrophobicContact CG-CD2 3.82Å; L58-L85 WeakPolarHBondContact O-CD2 3.27Å; K60-L85 HydrophobicContact CB-CD1 4.36Å; L63-L85 HydrophobicContact CB-CD2 4.4Å; L63-L85 HydrophobicContact CD2-CD2 4.11Å; L63-L85 HydrophobicContact CD2-CG 4.01Å; E81-L85 WeakPolarHBondContact O-CG 3.47Å; E81-L85 PolarHBondContact O-N 2.98Å; E82-L85 PolarHBondContact O-N 3.15Å; L85-I87 PolarHBondContact O-N 3.05Å; L85-A88 WeakPolarHBondContact O-CB 3.43Å; L85-A88 PolarHBondContact O-N 2.9Å; L85-A88 VanDerWaalsContact O-N 3.16Å; L85-D89 PolarHBondContact O-N 3.4Å |
| 86 | Q | 94.7 | Very high | 95.7 | Very high | 106 Ų | 106 | 71.4 Ų | 71.4 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 176 | -174.2 | 63.8 | 47.4 | 0 | 0 | 111.9 | E82 M83 A88 D89 D90 | E82-Q86 PolarHBondContact O-N 3.41Å; M83-Q86 PolarHBondContact O-N 2.9Å; Q86-A88 VanDerWaalsContact C-N 3.26Å; Q86-A88 PolarHBondContact O-N 2.92Å; Q86-D89 PolarHBondContact O-N 2.95Å; Q86-D90 PolarHBondContact NE2-OD1 2.89Å; Q86-D90 VanDerWaalsContact O-CG 3.28Å; Q86-D90 PolarHBondContact O-N 3.36Å |
| 87 | I | 95.8 | Very high | 95.9 | Very high | 90 Ų | 90 | 72.8 Ų | 72.8 | 46% | 0.462 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 177 | -68.7 | 164.9 | 0 | 0 | 0 | 111 | M83 L84 L85 F91 | M83-I87 HydrophobicContact CG-CD1 4.07Å; M83-I87 VanDerWaalsContact O-CG1 3.27Å; M83-I87 WeakPolarHBondContact O-CG1 3.43Å; M83-I87 PolarHBondContact O-N 3.42Å; L84-I87 PolarHBondContact O-N 3.02Å; L85-I87 PolarHBondContact O-N 3.05Å; I87-F91 VanDerWaalsContact O-CB 3.25Å; I87-F91 WeakPolarHBondContact O-CB 3.4Å; I87-F91 PolarHBondContact O-N 3Å |
| 88 | A | 95.7 | Very high | 95.9 | Very high | 25 Ų | 25 | 67.7 Ų | 67.7 | 21% | 0.207 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L58 L84 L85 Q86 F91 I92 | L58-A88 HydrophobicContact CD2-CB 4.08Å; L84-A88 PolarHBondContact O-N 3.46Å; L85-A88 WeakPolarHBondContact O-CB 3.43Å; L85-A88 PolarHBondContact O-N 2.9Å; L85-A88 VanDerWaalsContact O-N 3.16Å; Q86-A88 VanDerWaalsContact C-N 3.26Å; Q86-A88 PolarHBondContact O-N 2.92Å; A88-F91 WeakPolarHBondContact O-CB 3.31Å; A88-F91 PolarHBondContact O-N 2.87Å; A88-I92 VanDerWaalsContact O-CG1 3.31Å; A88-I92 WeakPolarHBondContact O-CG1 3.48Å; A88-I92 PolarHBondContact O-N 2.59Å |
| 89 | D | 93.6 | Very high | 96 | Very high | 46 Ų | 46 | 61.7 Ų | 61.7 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 176.4 | -71.2 | -26 | 0 | 0 | 0 | 111.1 | V57 L85 Q86 F91 I92 E93 | V57-D89 WeakPolarHBondContact CG2-OD1 3.31Å; L85-D89 PolarHBondContact O-N 3.4Å; Q86-D89 PolarHBondContact O-N 2.95Å; D89-F91 VanDerWaalsContact C-N 3.31Å; D89-F91 PolarHBondContact O-N 2.95Å; D89-I92 PolarHBondContact O-N 2.81Å; D89-I92 VanDerWaalsContact O-N 3.15Å; D89-E93 PolarHBondContact O-N 3.21Å |
| 90 | D | 95.3 | Very high | 96.2 | Very high | 81 Ų | 81 | 57.7 Ų | 57.7 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 176.6 | -68.1 | -7.5 | 0 | 0 | 0 | 111.6 | Q86 E93 S94 | Q86-D90 PolarHBondContact NE2-OD1 2.89Å; Q86-D90 VanDerWaalsContact O-CG 3.28Å; Q86-D90 PolarHBondContact O-N 3.36Å; D90-E93 PolarHBondContact O-N 3.17Å; D90-S94 VanDerWaalsContact O-CB 3.29Å; D90-S94 WeakPolarHBondContact O-CB 2.99Å; D90-S94 PolarHBondContact O-N 3.29Å |
| 91 | F | 96.6 | Very high | 96.2 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 28% | 0.276 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 174.6 | 168.8 | -101.5 | 0 | 0 | 0 | 111.2 | I87 A88 D89 S94 V95 L120 W124 M126 | I87-F91 VanDerWaalsContact O-CB 3.25Å; I87-F91 WeakPolarHBondContact O-CB 3.4Å; I87-F91 PolarHBondContact O-N 3Å; A88-F91 WeakPolarHBondContact O-CB 3.31Å; A88-F91 PolarHBondContact O-N 2.87Å; D89-F91 VanDerWaalsContact C-N 3.31Å; D89-F91 PolarHBondContact O-N 2.95Å; F91-S94 PolarHBondContact O-N 3Å; F91-V95 HydrophobicContact CD1-CG2 4.48Å; F91-V95 HydrophobicContact CD2-CG2 4.02Å; F91-V95 HydrophobicContact CE1-CG2 4.14Å; F91-V95 HydrophobicContact CE2-CG2 3.64Å; F91-V95 HydrophobicContact CG-CG2 4.43Å; F91-V95 HydrophobicContact CZ-CG2 3.72Å; F91-V95 WeakPolarHBondContact O-CB 3.41Å; F91-V95 VanDerWaalsContact O-CG2 3.25Å; F91-V95 WeakPolarHBondContact O-CG2 3.48Å; F91-V95 PolarHBondContact O-N 3.39Å; F91-L120 HydrophobicContact CE2-CD2 4.26Å; F91-L120 HydrophobicContact CZ-CD2 3.74Å; F91-W124 HydrophobicContact CD2-CD2 4Å; F91-W124 AromaticContact CD2-CE2 3.66Å; F91-W124 HydrophobicContact CD2-CE3 4.09Å; F91-W124 AromaticContact CD2-CH2 3.57Å; F91-W124 HydrophobicContact CD2-CH2 3.57Å; F91-W124 AromaticContact CD2-CZ2 3.46Å; F91-W124 HydrophobicContact CD2-CZ2 3.46Å; F91-W124 VanDerWaalsContact CD2-CZ2 3.46Å; F91-W124 AromaticContact CD2-CZ3 3.88Å; F91-W124 HydrophobicContact CD2-CZ3 3.88Å; F91-W124 AromaticContact CE2-CD2 3.54Å; F91-W124 HydrophobicContact CE2-CD2 3.54Å; F91-W124 AromaticContact CE2-CE2 3.52Å; F91-W124 AromaticContact CE2-CE3 3.86Å; F91-W124 HydrophobicContact CE2-CE3 3.86Å; F91-W124 AromaticContact CE2-CG 3.99Å; F91-W124 HydrophobicContact CE2-CG 3.99Å; F91-W124 HydrophobicContact CE2-CH2 4.15Å; F91-W124 AromaticContact CE2-CZ2 3.86Å; F91-W124 HydrophobicContact CE2-CZ2 3.86Å; F91-W124 HydrophobicContact CE2-CZ3 4.15Å; F91-W124 AromaticContact CE2-NE1 3.91Å; F91-M126 HydrophobicContact CZ-SD 4.47Å |
| 92 | I | 95.5 | Very high | 96.3 | Very high | 66 Ų | 66 | 62.4 Ų | 62.4 | 34% | 0.338 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | -179.4 | -70.1 | 166.7 | 0 | 0 | 0 | 110.7 | V57 A88 D89 S94 V95 V96 | V57-I92 HydrophobicContact CB-CD1 4.29Å; V57-I92 HydrophobicContact CG2-CD1 3.24Å; A88-I92 VanDerWaalsContact O-CG1 3.31Å; A88-I92 WeakPolarHBondContact O-CG1 3.48Å; A88-I92 PolarHBondContact O-N 2.59Å; D89-I92 PolarHBondContact O-N 2.81Å; D89-I92 VanDerWaalsContact O-N 3.15Å; I92-S94 VanDerWaalsContact C-N 3.32Å; I92-S94 PolarHBondContact O-N 3.09Å; I92-V95 PolarHBondContact O-N 3.26Å; I92-V96 HydrophobicContact CG2-CG2 4.1Å; I92-V96 VanDerWaalsContact O-CB 3.3Å; I92-V96 WeakPolarHBondContact O-CB 3.25Å; I92-V96 WeakPolarHBondContact O-CG2 3.33Å; I92-V96 PolarHBondContact O-N 3.48Å |
| 93 | E | 95.3 | Very high | 96.5 | Very high | 132 Ų | 132 | 58.5 Ų | 58.5 | 62% | 0.617 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.3 | -44.5 | 176.4 | -175.8 | 169.5 | -159.4 | 0 | 0 | 111.5 | D89 D90 T97 | D89-E93 PolarHBondContact O-N 3.21Å; D90-E93 PolarHBondContact O-N 3.17Å; E93-T97 WeakPolarHBondContact O-CB 3.12Å; E93-T97 PolarHBondContact O-N 3.03Å; E93-T97 PolarHBondContact O-OG1 3.28Å |
| 94 | S | 97.1 | Very high | 96.5 | Very high | 56 Ų | 56 | 62 Ų | 62 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.9 | -50.9 | 177 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | D90 F91 I92 T97 A98 | D90-S94 VanDerWaalsContact O-CB 3.29Å; D90-S94 WeakPolarHBondContact O-CB 2.99Å; D90-S94 PolarHBondContact O-N 3.29Å; F91-S94 PolarHBondContact O-N 3Å; I92-S94 VanDerWaalsContact C-N 3.32Å; I92-S94 PolarHBondContact O-N 3.09Å; S94-T97 PolarHBondContact O-N 3.42Å; S94-A98 WeakPolarHBondContact O-CB 3.38Å; S94-A98 PolarHBondContact O-N 2.92Å |
| 95 | V | 97.6 | Very high | 96.6 | Very high | 10 Ų | 10 | 66.3 Ų | 66.3 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.7 | -46.2 | -178.9 | 171 | 0 | 0 | 0 | 0 | 111.3 | F91 I92 A98 A99 V116 L120 | F91-V95 HydrophobicContact CD1-CG2 4.48Å; F91-V95 HydrophobicContact CD2-CG2 4.02Å; F91-V95 HydrophobicContact CE1-CG2 4.14Å; F91-V95 HydrophobicContact CE2-CG2 3.64Å; F91-V95 HydrophobicContact CG-CG2 4.43Å; F91-V95 HydrophobicContact CZ-CG2 3.72Å; F91-V95 WeakPolarHBondContact O-CB 3.41Å; F91-V95 VanDerWaalsContact O-CG2 3.25Å; F91-V95 WeakPolarHBondContact O-CG2 3.48Å; F91-V95 PolarHBondContact O-N 3.39Å; I92-V95 PolarHBondContact O-N 3.26Å; V95-A98 PolarHBondContact O-N 2.98Å; V95-A99 VanDerWaalsContact O-CB 3.26Å; V95-A99 WeakPolarHBondContact O-CB 3.39Å; V95-A99 PolarHBondContact O-N 3.24Å; V95-V116 HydrophobicContact CG1-CG1 3.91Å; V95-L120 HydrophobicContact CG1-CD2 4.27Å; V95-L120 HydrophobicContact CG2-CD2 3.97Å |
| 96 | V | 97.1 | Very high | 96.6 | Very high | 72 Ų | 72 | 70.9 Ų | 70.9 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | -179.4 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | I92 A99 C100 | I92-V96 HydrophobicContact CG2-CG2 4.1Å; I92-V96 VanDerWaalsContact O-CB 3.3Å; I92-V96 WeakPolarHBondContact O-CB 3.25Å; I92-V96 WeakPolarHBondContact O-CG2 3.33Å; I92-V96 PolarHBondContact O-N 3.48Å; V96-A99 PolarHBondContact O-N 3.14Å; V96-C100 WeakPolarHBondContact O-CB 3.29Å; V96-C100 PolarHBondContact O-N 3.04Å; V96-C100 PolarHBondContact O-SG 3.08Å |
| 97 | T | 98 | Very high | 96.7 | Very high | 66 Ų | 66 | 74.9 Ų | 74.9 | 41% | 0.405 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 177.2 | -65.1 | 0 | 0 | 0 | 0 | 111 | E93 S94 C100 Q101 | E93-T97 WeakPolarHBondContact O-CB 3.12Å; E93-T97 PolarHBondContact O-N 3.03Å; E93-T97 PolarHBondContact O-OG1 3.28Å; S94-T97 PolarHBondContact O-N 3.42Å; T97-C100 PolarHBondContact O-N 2.94Å; T97-Q101 VanDerWaalsContact O-CG 3.32Å; T97-Q101 WeakPolarHBondContact O-CG 3.42Å; T97-Q101 PolarHBondContact O-N 2.93Å |
| 98 | A | 98 | Very high | 96.7 | Very high | 16 Ų | 16 | 71.9 Ų | 71.9 | 13% | 0.132 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S94 V95 C100 Q101 L102 H119 | S94-A98 WeakPolarHBondContact O-CB 3.38Å; S94-A98 PolarHBondContact O-N 2.92Å; V95-A98 PolarHBondContact O-N 2.98Å; A98-C100 PolarHBondContact O-N 2.87Å; A98-Q101 WeakPolarHBondContact O-CB 3.34Å; A98-Q101 PolarHBondContact O-N 3.42Å; A98-Q101 VanDerWaalsContact O-N 3.16Å; A98-L102 WeakPolarHBondContact O-CG 3.37Å; A98-L102 PolarHBondContact O-N 2.92Å; A98-H119 WeakPolarHBondContact CB-CE1 3.41Å; A98-H119 VanDerWaalsContact CB-ND1 3.3Å; A98-H119 WeakPolarHBondContact CB-ND1 3.41Å |
| 99 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V95 V96 Q101 L102 A103 L111 D115 V116 | V95-A99 VanDerWaalsContact O-CB 3.26Å; V95-A99 WeakPolarHBondContact O-CB 3.39Å; V95-A99 PolarHBondContact O-N 3.24Å; V96-A99 PolarHBondContact O-N 3.14Å; A99-Q101 VanDerWaalsContact C-N 3.3Å; A99-Q101 PolarHBondContact O-N 3.14Å; A99-L102 PolarHBondContact O-N 3.32Å; A99-A103 PolarHBondContact O-N 3.13Å; A99-L111 HydrophobicContact CB-CD1 3.83Å; A99-D115 HydrophobicContact CB-CB 4.18Å; A99-D115 WeakPolarHBondContact O-CB 3.29Å; A99-V116 HydrophobicContact CB-CB 4.39Å; A99-V116 HydrophobicContact CB-CG2 3.68Å |
| 100 | C | 98 | Very high | 96.9 | Very high | 53 Ų | 53 | 78.7 Ų | 78.7 | 36% | 0.358 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 173.5 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | V96 T97 A98 A103 R104 L111 | V96-C100 WeakPolarHBondContact O-CB 3.29Å; V96-C100 PolarHBondContact O-N 3.04Å; V96-C100 PolarHBondContact O-SG 3.08Å; T97-C100 PolarHBondContact O-N 2.94Å; A98-C100 PolarHBondContact O-N 2.87Å; C100-A103 PolarHBondContact O-N 2.87Å; C100-R104 WeakPolarHBondContact O-CG 3.43Å; C100-R104 PolarHBondContact O-N 2.99Å; C100-L111 VanDerWaalsContact SG-CD1 3.57Å |
| 101 | Q | 98.1 | Very high | 97 | Very high | 116 Ų | 116 | 78.8 Ų | 78.8 | 54% | 0.542 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 174.8 | -69.7 | 174 | 26.5 | 0 | 0 | 112 | T97 A98 A99 R104 H105 | T97-Q101 VanDerWaalsContact O-CG 3.32Å; T97-Q101 WeakPolarHBondContact O-CG 3.42Å; T97-Q101 PolarHBondContact O-N 2.93Å; A98-Q101 WeakPolarHBondContact O-CB 3.34Å; A98-Q101 PolarHBondContact O-N 3.42Å; A98-Q101 VanDerWaalsContact O-N 3.16Å; A99-Q101 VanDerWaalsContact C-N 3.3Å; A99-Q101 PolarHBondContact O-N 3.14Å; Q101-R104 PolarHBondContact O-N 3.42Å; Q101-H105 WeakPolarHBondContact O-CB 3.49Å; Q101-H105 PolarHBondContact O-N 3.37Å |
| 102 | L | 96.9 | Very high | 96.8 | Very high | 51 Ų | 51 | 79.4 Ų | 79.4 | 27% | 0.267 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 175.7 | -70.5 | 170.4 | 0 | 0 | 0 | 112.2 | A98 A99 R104 H105 R106 D115 L118 H119 | A98-L102 WeakPolarHBondContact O-CG 3.37Å; A98-L102 PolarHBondContact O-N 2.92Å; A99-L102 PolarHBondContact O-N 3.32Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 2.88Å; L102-H105 WeakPolarHBondContact O-CB 3.26Å; L102-H105 PolarHBondContact O-N 3.41Å; L102-H105 VanDerWaalsContact O-N 3.11Å; L102-R106 PolarHBondContact O-N 2.92Å; L102-D115 HydrophobicContact CB-CB 4.08Å; L102-D115 WeakPolarHBondContact CD1-O 3.16Å; L102-L118 HydrophobicContact CD1-CB 4.32Å; L102-L118 HydrophobicContact CD1-CD2 4.18Å; L102-L118 HydrophobicContact CD1-CG 4.46Å; L102-L118 HydrophobicContact CD2-CD2 4.15Å; L102-H119 HydrophobicContact CD1-CB 4.19Å |
| 103 | A | 97.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 80.3 Ų | 80.3 | 3% | 0.033 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A99 C100 H105 R106 K107 S108 D115 | A99-A103 PolarHBondContact O-N 3.13Å; C100-A103 PolarHBondContact O-N 2.87Å; A103-H105 VanDerWaalsContact C-N 3.33Å; A103-H105 PolarHBondContact O-N 2.87Å; A103-R106 WeakPolarHBondContact O-CG 3.22Å; A103-R106 PolarHBondContact O-N 3Å; A103-K107 PolarHBondContact O-N 2.67Å; A103-S108 CarbonylContact C-O 3.41Å; A103-S108 WeakPolarHBondContact O-CB 3.25Å; A103-S108 PolarHBondContact O-N 3.15Å; A103-D115 WeakPolarHBondContact CB-OD2 3.45Å; A103-D115 PolarHBondContact N-OD1 3.4Å |
| 104 | R | 97.8 | Very high | 96.6 | Very high | 184 Ų | 184 | 79.2 Ų | 79.2 | 69% | 0.694 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.3 | -35.2 | 175.4 | -72 | 177.8 | 67.6 | -126.7 | 0.7 | 112.7 | C100 Q101 L102 R106 K107 | C100-R104 WeakPolarHBondContact O-CG 3.43Å; C100-R104 PolarHBondContact O-N 2.99Å; Q101-R104 PolarHBondContact O-N 3.42Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 2.88Å; R104-R106 VanDerWaalsContact C-N 3.32Å; R104-R106 PolarHBondContact O-N 3.42Å; R104-K107 WeakPolarHBondContact O-CA 3.36Å; R104-K107 PolarHBondContact O-N 3.06Å |
| 105 | H | 97.1 | Very high | 96.5 | Very high | 154 Ų | 154 | 77 Ų | 77 | 71% | 0.713 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.1 | -40.9 | 179.1 | 177.9 | -93.4 | 0 | 0 | 0 | 111.8 | Q101 L102 A103 K107 | Q101-H105 WeakPolarHBondContact O-CB 3.49Å; Q101-H105 PolarHBondContact O-N 3.37Å; L102-H105 WeakPolarHBondContact O-CB 3.26Å; L102-H105 PolarHBondContact O-N 3.41Å; L102-H105 VanDerWaalsContact O-N 3.11Å; A103-H105 VanDerWaalsContact C-N 3.33Å; A103-H105 PolarHBondContact O-N 2.87Å; H105-K107 PolarHBondContact O-N 3.49Å |
| 106 | R | 95.4 | Very high | 96.4 | Very high | 98 Ų | 98 | 78.5 Ų | 78.5 | 37% | 0.37 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 10.9 | 173.2 | 64.3 | -175.9 | 177 | 102 | 11.1 | 114.4 | L102 A103 R104 S108 T110 E112 D115 | L102-R106 PolarHBondContact O-N 2.92Å; A103-R106 WeakPolarHBondContact O-CG 3.22Å; A103-R106 PolarHBondContact O-N 3Å; R104-R106 VanDerWaalsContact C-N 3.32Å; R104-R106 PolarHBondContact O-N 3.42Å; R106-S108 PolarHBondContact O-N 3.38Å; R106-T110 PolarHBondContact NH2-O 2.74Å; R106-T110 VanDerWaalsContact NH2-O 3.17Å; R106-E112 VanDerWaalsContact CZ-CD 3.43Å; R106-E112 IonicContact CZ-OE1 3.53Å; R106-E112 IonicContact CZ-OE2 3.57Å; R106-E112 IonicContact NH1-OE1 2.88Å; R106-E112 PolarHBondContact NH1-OE1 3.17Å; R106-E112 IonicContact NH1-OE2 2.79Å; R106-E112 PolarHBondContact NH1-OE2 2.94Å; R106-E112 VanDerWaalsContact NH2-CB 3.3Å; R106-E112 IonicContact NH2-OE1 2.94Å; R106-E112 PolarHBondContact NH2-OE1 2.79Å; R106-E112 IonicContact NH2-OE2 3.71Å; R106-E112 PolarHBondContact NH2-OE2 3.43Å; R106-D115 IonicContact CZ-OD1 3.84Å; R106-D115 IonicContact CZ-OD2 2.84Å; R106-D115 IonicContact NE-OD1 3.34Å; R106-D115 PolarHBondContact NE-OD1 2.96Å; R106-D115 IonicContact NE-OD2 2.59Å; R106-D115 IonicContact NH2-OD1 3Å; R106-D115 IonicContact NH2-OD2 2.88Å; R106-D115 PolarHBondContact NH2-OD2 3.47Å |
| 107 | K | 96.6 | Very high | 96.2 | Very high | 190 Ų | 190 | 76 Ų | 76 | 83% | 0.826 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 24.2 | -179 | -45.5 | -58.3 | -177.9 | -174.3 | 0 | 113.9 | A103 R104 H105 | A103-K107 PolarHBondContact O-N 2.67Å; R104-K107 WeakPolarHBondContact O-CA 3.36Å; R104-K107 PolarHBondContact O-N 3.06Å; H105-K107 PolarHBondContact O-N 3.49Å |
| 108 | S | 96.2 | Very high | 95.9 | Very high | 27 Ų | 27 | 75.3 Ų | 75.3 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | trans | -88.3 | 141.7 | 172.6 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | A103 R106 T110 | A103-S108 CarbonylContact C-O 3.41Å; A103-S108 WeakPolarHBondContact O-CB 3.25Å; A103-S108 PolarHBondContact O-N 3.15Å; R106-S108 PolarHBondContact O-N 3.38Å; S108-T110 PolarHBondContact OG-N 3.18Å; S108-T110 PolarHBondContact OG-O 3.32Å | ||
| 109 | S | 96.1 | Very high | 95.8 | Very high | 127 Ų | 127 | 75.7 Ų | 75.7 | 89% | 0.888 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -92.3 | -3.7 | 165.9 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 110 | T | 96.6 | Very high | 95.7 | Very high | 87 Ų | 87 | 76.6 Ų | 76.6 | 53% | 0.534 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -112.2 | 125.7 | -179.2 | -54.2 | 0 | 0 | 0 | 0 | 109.6 | R106 S108 | R106-T110 PolarHBondContact NH2-O 2.74Å; R106-T110 VanDerWaalsContact NH2-O 3.17Å; S108-T110 PolarHBondContact OG-N 3.18Å; S108-T110 PolarHBondContact OG-O 3.32Å |
| 111 | L | 96.9 | Very high | 95.5 | Very high | 83 Ų | 83 | 76 Ų | 76 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | trans | -73.2 | 125.8 | 172.4 | -178.6 | 132.6 | 0 | 0 | 0 | 109.4 | A99 C100 V116 | A99-L111 HydrophobicContact CB-CD1 3.83Å; C100-L111 VanDerWaalsContact SG-CD1 3.57Å; L111-V116 HydrophobicContact CD2-CG2 4.16Å | ||
| 112 | E | 93.6 | Very high | 95.2 | Very high | 75 Ų | 75 | 79.1 Ų | 79.1 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | trans | -112.9 | 161.3 | 177 | -71.8 | 171.4 | -156.6 | 0 | 0 | 111.2 | R106 K114 D115 | R106-E112 VanDerWaalsContact CZ-CD 3.43Å; R106-E112 IonicContact CZ-OE1 3.53Å; R106-E112 IonicContact CZ-OE2 3.57Å; R106-E112 IonicContact NH1-OE1 2.88Å; R106-E112 PolarHBondContact NH1-OE1 3.17Å; R106-E112 IonicContact NH1-OE2 2.79Å; R106-E112 PolarHBondContact NH1-OE2 2.94Å; R106-E112 VanDerWaalsContact NH2-CB 3.3Å; R106-E112 IonicContact NH2-OE1 2.94Å; R106-E112 PolarHBondContact NH2-OE1 2.79Å; R106-E112 IonicContact NH2-OE2 3.71Å; R106-E112 PolarHBondContact NH2-OE2 3.43Å; E112-K114 PolarHBondContact O-N 3.02Å; E112-K114 VanDerWaalsContact O-N 3.17Å; E112-D115 PolarHBondContact N-OD2 2.83Å; E112-D115 WeakPolarHBondContact O-CB 3.45Å; E112-D115 PolarHBondContact O-N 3.18Å | ||
| 113 | V | 93.8 | Very high | 95.1 | Very high | 86 Ų | 86 | 83.5 Ų | 83.5 | 52% | 0.521 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -53.8 | -36.6 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | D115 V116 Q117 F131 | V113-D115 PolarHBondContact O-N 3.47Å; V113-V116 PolarHBondContact O-N 2.93Å; V113-Q117 WeakPolarHBondContact O-CB 3.44Å; V113-Q117 PolarHBondContact O-N 2.82Å; V113-F131 HydrophobicContact CG1-CD1 3.84Å |
| 114 | K | 92.1 | Very high | 95 | Very high | 109 Ų | 109 | 89 Ų | 89 | 47% | 0.474 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.7 | -32.3 | 178.9 | -65.8 | 175.4 | 176.4 | 173.5 | 0 | 112.7 | E112 L118 E134 | E112-K114 PolarHBondContact O-N 3.02Å; E112-K114 VanDerWaalsContact O-N 3.17Å; K114-L118 VanDerWaalsContact O-CB 3.29Å; K114-L118 WeakPolarHBondContact O-CB 3.3Å; K114-L118 PolarHBondContact O-N 3.05Å; K114-L118 VanDerWaalsContact O-N 3.09Å; K114-E134 WeakPolarHBondContact CE-OE2 3.44Å; K114-E134 IonicContact NZ-OE2 2.83Å; K114-E134 PolarHBondContact NZ-OE2 2.94Å |
| 115 | D | 94.5 | Very high | 94.8 | Very high | 8 Ų | 8 | 87.2 Ų | 87.2 | 4% | 0.043 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70.3 | -44.6 | -179.3 | -56.5 | -52.2 | 0 | 0 | 0 | 110.4 | A99 L102 A103 R106 E112 V113 H119 | A99-D115 HydrophobicContact CB-CB 4.18Å; A99-D115 WeakPolarHBondContact O-CB 3.29Å; L102-D115 HydrophobicContact CB-CB 4.08Å; L102-D115 WeakPolarHBondContact CD1-O 3.16Å; A103-D115 WeakPolarHBondContact CB-OD2 3.45Å; A103-D115 PolarHBondContact N-OD1 3.4Å; R106-D115 IonicContact CZ-OD1 3.84Å; R106-D115 IonicContact CZ-OD2 2.84Å; R106-D115 IonicContact NE-OD1 3.34Å; R106-D115 PolarHBondContact NE-OD1 2.96Å; R106-D115 IonicContact NE-OD2 2.59Å; R106-D115 IonicContact NH2-OD1 3Å; R106-D115 IonicContact NH2-OD2 2.88Å; R106-D115 PolarHBondContact NH2-OD2 3.47Å; E112-D115 PolarHBondContact N-OD2 2.83Å; E112-D115 WeakPolarHBondContact O-CB 3.45Å; E112-D115 PolarHBondContact O-N 3.18Å; V113-D115 PolarHBondContact O-N 3.47Å; D115-H119 PolarHBondContact O-N 2.96Å |
| 116 | V | 95.9 | Very high | 94.7 | Very high | 42 Ų | 42 | 84.1 Ų | 84.1 | 26% | 0.255 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.2 | -48.4 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | V95 A99 L111 V113 L118 H119 L120 | V95-V116 HydrophobicContact CG1-CG1 3.91Å; A99-V116 HydrophobicContact CB-CB 4.39Å; A99-V116 HydrophobicContact CB-CG2 3.68Å; L111-V116 HydrophobicContact CD2-CG2 4.16Å; V113-V116 PolarHBondContact O-N 2.93Å; V116-L118 PolarHBondContact O-N 3.4Å; V116-H119 PolarHBondContact O-N 2.87Å; V116-H119 VanDerWaalsContact O-N 3.15Å; V116-L120 HydrophobicContact CG1-CD1 3.97Å; V116-L120 HydrophobicContact CG1-CG 4.33Å; V116-L120 WeakPolarHBondContact O-CG 3.32Å; V116-L120 PolarHBondContact O-N 3.49Å |
| 117 | Q | 93.4 | Very high | 94.4 | Very high | 19 Ų | 19 | 87.7 Ų | 87.7 | 9% | 0.089 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58 | -46.8 | -178.5 | 176.3 | 169.1 | -3.4 | 0 | 0 | 112.4 | V113 H119 L120 E121 F131 | V113-Q117 WeakPolarHBondContact O-CB 3.44Å; V113-Q117 PolarHBondContact O-N 2.82Å; Q117-H119 PolarHBondContact O-N 3.16Å; Q117-L120 PolarHBondContact O-N 3.04Å; Q117-E121 HydrophobicContact CG-CG 4.38Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.33Å; Q117-E121 PolarHBondContact NE2-OE1 3.43Å; Q117-E121 WeakPolarHBondContact O-CG 3.25Å; Q117-E121 PolarHBondContact O-N 3.47Å; Q117-F131 PolarHBondContact NE2-O 2.89Å |
| 118 | L | 92.4 | Very high | 94 | Very high | 52 Ų | 52 | 81.8 Ų | 81.8 | 27% | 0.272 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.9 | -37.1 | 179.6 | -177 | 64.9 | 0 | 0 | 0 | 112 | L102 K114 V116 R122 | L102-L118 HydrophobicContact CD1-CB 4.32Å; L102-L118 HydrophobicContact CD1-CD2 4.18Å; L102-L118 HydrophobicContact CD1-CG 4.46Å; L102-L118 HydrophobicContact CD2-CD2 4.15Å; K114-L118 VanDerWaalsContact O-CB 3.29Å; K114-L118 WeakPolarHBondContact O-CB 3.3Å; K114-L118 PolarHBondContact O-N 3.05Å; K114-L118 VanDerWaalsContact O-N 3.09Å; V116-L118 PolarHBondContact O-N 3.4Å; L118-R122 HydrophobicContact CD1-CG 4.21Å; L118-R122 VanDerWaalsContact CD1-NE 3.3Å; L118-R122 WeakPolarHBondContact O-CB 3.32Å; L118-R122 WeakPolarHBondContact O-CG 3.16Å; L118-R122 PolarHBondContact O-N 3.38Å |
| 119 | H | 95.6 | Very high | 93.6 | Very high | 24 Ų | 24 | 84.8 Ų | 84.8 | 11% | 0.111 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -72.1 | -43.5 | 178.6 | -172.2 | 69.7 | 0 | 0 | 0 | 112 | A98 L102 D115 V116 Q117 E121 R122 Q123 W124 | A98-H119 WeakPolarHBondContact CB-CE1 3.41Å; A98-H119 VanDerWaalsContact CB-ND1 3.3Å; A98-H119 WeakPolarHBondContact CB-ND1 3.41Å; L102-H119 HydrophobicContact CD1-CB 4.19Å; D115-H119 PolarHBondContact O-N 2.96Å; V116-H119 PolarHBondContact O-N 2.87Å; V116-H119 VanDerWaalsContact O-N 3.15Å; Q117-H119 PolarHBondContact O-N 3.16Å; H119-E121 PolarHBondContact O-N 3.24Å; H119-R122 PolarHBondContact O-N 2.9Å; H119-Q123 WeakPolarHBondContact O-CB 3.33Å; H119-Q123 PolarHBondContact O-N 2.89Å; H119-W124 AromaticContact NE2-NE1 3.68Å |
| 120 | L | 95.8 | Very high | 92.9 | Very high | 20 Ų | 20 | 82.7 Ų | 82.7 | 11% | 0.105 | 42% | 0.421 | C | S | . | . | I | π-helix | trans | -60.5 | -44.4 | 176.4 | -69.2 | 177.3 | 0 | 0 | 0 | 112.2 | F91 V95 V116 Q117 W124 N125 M126 I128 | F91-L120 HydrophobicContact CE2-CD2 4.26Å; F91-L120 HydrophobicContact CZ-CD2 3.74Å; V95-L120 HydrophobicContact CG1-CD2 4.27Å; V95-L120 HydrophobicContact CG2-CD2 3.97Å; V116-L120 HydrophobicContact CG1-CD1 3.97Å; V116-L120 HydrophobicContact CG1-CG 4.33Å; V116-L120 WeakPolarHBondContact O-CG 3.32Å; V116-L120 PolarHBondContact O-N 3.49Å; Q117-L120 PolarHBondContact O-N 3.04Å; L120-W124 HydrophobicContact CD2-CG 4.48Å; L120-W124 CarbonylContact O-C 3.54Å; L120-W124 WeakPolarHBondContact O-CA 3.47Å; L120-W124 WeakPolarHBondContact O-CB 3.2Å; L120-W124 PolarHBondContact O-N 3.28Å; L120-W124 VanDerWaalsContact O-N 3.08Å; L120-N125 PolarHBondContact O-N 2.97Å; L120-M126 CarbonylContact C-O 3.54Å; L120-M126 HydrophobicContact CB-CB 4.4Å; L120-M126 PolarHBondContact O-N 3.37Å; L120-M126 VanDerWaalsContact O-N 3.14Å; L120-I128 HydrophobicContact CD1-CG1 4.41Å |
| 121 | E | 92.4 | Very high | 92 | Very high | 40 Ų | 40 | 84.1 Ų | 84.1 | 19% | 0.187 | 42% | 0.42 | C | S | . | . | I | π-helix | trans | -68.4 | -40.4 | 180 | -71.1 | 178.9 | -170.7 | 0 | 0 | 112.3 | Q117 H119 N125 M126 I136 | Q117-E121 HydrophobicContact CG-CG 4.38Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.33Å; Q117-E121 PolarHBondContact NE2-OE1 3.43Å; Q117-E121 WeakPolarHBondContact O-CG 3.25Å; Q117-E121 PolarHBondContact O-N 3.47Å; H119-E121 PolarHBondContact O-N 3.24Å; E121-N125 WeakPolarHBondContact O-CA 3.42Å; E121-M126 WeakPolarHBondContact CA-O 3.36Å; E121-M126 WeakPolarHBondContact CG-O 3.3Å; E121-M126 PolarHBondContact N-O 3.42Å; E121-I136 WeakPolarHBondContact OE2-CD1 3.42Å |
| 122 | R | 92.3 | Very high | 90.3 | Very high | 182 Ų | 182 | 82 Ų | 82 | 69% | 0.687 | 42% | 0.418 | S | S | * | . | I | π-helix | trans | -85.2 | -30.9 | -173.9 | -70.7 | -172.5 | 175.1 | -152.8 | 3.5 | 115 | L118 H119 | L118-R122 HydrophobicContact CD1-CG 4.21Å; L118-R122 VanDerWaalsContact CD1-NE 3.3Å; L118-R122 WeakPolarHBondContact O-CB 3.32Å; L118-R122 WeakPolarHBondContact O-CG 3.16Å; L118-R122 PolarHBondContact O-N 3.38Å; H119-R122 PolarHBondContact O-N 2.9Å |
| 123 | Q | 94.8 | Very high | 88.5 | Confident | 143 Ų | 143 | 84.5 Ų | 84.5 | 67% | 0.668 | 44% | 0.444 | S | S | * | . | I | π-helix | trans | -106.4 | -34.2 | -176.1 | -69.7 | -66.4 | -95.8 | 0 | 0 | 112.9 | H119 | H119-Q123 WeakPolarHBondContact O-CB 3.33Å; H119-Q123 PolarHBondContact O-N 2.89Å |
| 124 | W | 95.8 | Very high | 86.8 | Confident | 118 Ų | 118 | 86.9 Ų | 86.9 | 45% | 0.447 | 45% | 0.45 | S | S | . | . | I | π-helix | trans | -104.2 | -7.8 | -177.4 | -62.2 | 90.8 | 0 | 0 | 0 | 112.9 | F91 H119 L120 M126 | F91-W124 HydrophobicContact CD2-CD2 4Å; F91-W124 AromaticContact CD2-CE2 3.66Å; F91-W124 HydrophobicContact CD2-CE3 4.09Å; F91-W124 AromaticContact CD2-CH2 3.57Å; F91-W124 HydrophobicContact CD2-CH2 3.57Å; F91-W124 AromaticContact CD2-CZ2 3.46Å; F91-W124 HydrophobicContact CD2-CZ2 3.46Å; F91-W124 VanDerWaalsContact CD2-CZ2 3.46Å; F91-W124 AromaticContact CD2-CZ3 3.88Å; F91-W124 HydrophobicContact CD2-CZ3 3.88Å; F91-W124 AromaticContact CE2-CD2 3.54Å; F91-W124 HydrophobicContact CE2-CD2 3.54Å; F91-W124 AromaticContact CE2-CE2 3.52Å; F91-W124 AromaticContact CE2-CE3 3.86Å; F91-W124 HydrophobicContact CE2-CE3 3.86Å; F91-W124 AromaticContact CE2-CG 3.99Å; F91-W124 HydrophobicContact CE2-CG 3.99Å; F91-W124 HydrophobicContact CE2-CH2 4.15Å; F91-W124 AromaticContact CE2-CZ2 3.86Å; F91-W124 HydrophobicContact CE2-CZ2 3.86Å; F91-W124 HydrophobicContact CE2-CZ3 4.15Å; F91-W124 AromaticContact CE2-NE1 3.91Å; H119-W124 AromaticContact NE2-NE1 3.68Å; L120-W124 HydrophobicContact CD2-CG 4.48Å; L120-W124 CarbonylContact O-C 3.54Å; L120-W124 WeakPolarHBondContact O-CA 3.47Å; L120-W124 WeakPolarHBondContact O-CB 3.2Å; L120-W124 PolarHBondContact O-N 3.28Å; L120-W124 VanDerWaalsContact O-N 3.08Å; W124-M126 HydrophobicContact CB-CB 4.39Å; W124-M126 HydrophobicContact CB-CG 3.91Å; W124-M126 HydrophobicContact CB-SD 4.09Å; W124-M126 PolarHBondContact O-N 3.11Å; W124-M126 VanDerWaalsContact O-N 3.14Å |
| 125 | N | 93.5 | Very high | 84.8 | Confident | 148 Ų | 148 | 88.3 Ų | 88.3 | 79% | 0.791 | 46% | 0.458 | S | S | * | . | trans | 52.5 | 32.3 | -174.5 | -158.6 | 81 | 0 | 0 | 0 | 111.8 | L120 E121 | L120-N125 PolarHBondContact O-N 2.97Å; E121-N125 WeakPolarHBondContact O-CA 3.42Å | ||
| 126 | M | 94.3 | Very high | 82.8 | Confident | 88 Ų | 88 | 92.9 Ų | 92.9 | 43% | 0.433 | 48% | 0.481 | S | S | . | . | trans | -97.5 | 127.6 | 176.4 | -68.3 | -179.8 | 77.9 | 0 | 0 | 109.1 | F91 L120 E121 W124 | F91-M126 HydrophobicContact CZ-SD 4.47Å; L120-M126 CarbonylContact C-O 3.54Å; L120-M126 HydrophobicContact CB-CB 4.4Å; L120-M126 PolarHBondContact O-N 3.37Å; L120-M126 VanDerWaalsContact O-N 3.14Å; E121-M126 WeakPolarHBondContact CA-O 3.36Å; E121-M126 WeakPolarHBondContact CG-O 3.3Å; E121-M126 PolarHBondContact N-O 3.42Å; W124-M126 HydrophobicContact CB-CB 4.39Å; W124-M126 HydrophobicContact CB-CG 3.91Å; W124-M126 HydrophobicContact CB-SD 4.09Å; W124-M126 PolarHBondContact O-N 3.11Å; W124-M126 VanDerWaalsContact O-N 3.14Å | ||
| 127 | W | 90.3 | Very high | 80.9 | Confident | 173 Ų | 173 | 98 Ų | 98 | 66% | 0.655 | 50% | 0.496 | S | S | * | . | trans | -114.3 | 120.8 | 174.3 | -176.4 | 77.2 | 0 | 0 | 0 | 109.3 | P129 | W127-P129 HydrophobicContact CE3-CB 4.37Å; W127-P129 HydrophobicContact CE3-CG 3.92Å; W127-P129 HydrophobicContact CH2-CB 4.01Å; W127-P129 HydrophobicContact CH2-CG 4.41Å; W127-P129 HydrophobicContact CZ3-CB 3.66Å; W127-P129 HydrophobicContact CZ3-CG 3.56Å; W127-P129 WeakPolarHBondContact O-CD 3.42Å | ||
| 128 | I | 88.5 | Confident | 79.2 | Confident | 66 Ų | 66 | 102.3 Ų | 102.3 | 34% | 0.338 | 53% | 0.525 | S | S | . | . | trans | -94.8 | 112.9 | -179.2 | -49.4 | -76.1 | 0 | 0 | 0 | 108.4 | L120 F131 | L120-I128 HydrophobicContact CD1-CG1 4.41Å; I128-F131 HydrophobicContact CB-CB 4.44Å; I128-F131 HydrophobicContact CB-CD2 4.43Å; I128-F131 HydrophobicContact CG2-CB 4.43Å; I128-F131 HydrophobicContact CG2-CD2 3.55Å; I128-F131 HydrophobicContact CG2-CE2 4.19Å; I128-F131 HydrophobicContact CG2-CG 4.3Å; I128-F131 PolarHBondContact O-N 3.43Å | ||
| 129 | P | 86.6 | Confident | 77.4 | Confident | 91 Ų | 91 | 108.9 Ų | 108.9 | 59% | 0.591 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 142 | 175.8 | -17.1 | 28.2 | 0 | 0 | 0 | 111.6 | W127 F131 | W127-P129 HydrophobicContact CE3-CB 4.37Å; W127-P129 HydrophobicContact CE3-CG 3.92Å; W127-P129 HydrophobicContact CH2-CB 4.01Å; W127-P129 HydrophobicContact CH2-CG 4.41Å; W127-P129 HydrophobicContact CZ3-CB 3.66Å; W127-P129 HydrophobicContact CZ3-CG 3.56Å; W127-P129 WeakPolarHBondContact O-CD 3.42Å; P129-F131 VanDerWaalsContact C-N 3.28Å; P129-F131 PolarHBondContact O-N 2.96Å |
| 130 | G | 82.9 | Confident | 75.6 | Confident | 83 Ų | 83 | 115.3 Ų | 115.3 | 86% | 0.856 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.3 | -3.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 131 | F | 75.8 | Confident | 73.9 | Confident | 116 Ų | 116 | 123.9 Ų | 123.9 | 51% | 0.509 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -115.6 | 138.3 | 174.7 | -70.6 | -91.8 | 0 | 0 | 0 | 111.3 | V113 Q117 I128 P129 | V113-F131 HydrophobicContact CG1-CD1 3.84Å; Q117-F131 PolarHBondContact NE2-O 2.89Å; I128-F131 HydrophobicContact CB-CB 4.44Å; I128-F131 HydrophobicContact CB-CD2 4.43Å; I128-F131 HydrophobicContact CG2-CB 4.43Å; I128-F131 HydrophobicContact CG2-CD2 3.55Å; I128-F131 HydrophobicContact CG2-CE2 4.19Å; I128-F131 HydrophobicContact CG2-CG 4.3Å; I128-F131 PolarHBondContact O-N 3.43Å; P129-F131 VanDerWaalsContact C-N 3.28Å; P129-F131 PolarHBondContact O-N 2.96Å |
| 132 | G | 62.4 | Low | 72.5 | Confident | 39 Ų | 39 | 124.9 Ų | 124.9 | 40% | 0.402 | 63% | 0.627 | S | S | . | * | trans | 66 | 47.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | E134 | G132-E134 PolarHBondContact O-N 3.43Š| ||
| 133 | S | 55.4 | Low | 71.1 | Confident | 128 Ų | 128 | 121.7 Ų | 121.7 | 90% | 0.895 | 63% | 0.632 | S | S | * | * | trans | -63.6 | 0.7 | 166.2 | 76.7 | 0 | 0 | 0 | 0 | 113.9 | E135 | S133-E135 PolarHBondContact O-N 3.47Š| ||
| 134 | E | 58.5 | Low | 70.1 | Confident | 136 Ų | 136 | 118.2 Ų | 118.2 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -81.3 | 80 | 172.7 | -156.5 | 151.2 | -151.5 | 0 | 0 | 108.4 | K114 G132 I136 | K114-E134 WeakPolarHBondContact CE-OE2 3.44Å; K114-E134 IonicContact NZ-OE2 2.83Å; K114-E134 PolarHBondContact NZ-OE2 2.94Å; G132-E134 PolarHBondContact O-N 3.43Å; E134-I136 PolarHBondContact O-N 3.14Å |
| 135 | E | 49.9 | Very low | 69.7 | Low | 139 Ų | 139 | 116.9 Ų | 116.9 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | trans | 0.4 | 95.5 | 163.7 | -157.4 | -177.8 | -135.2 | 0 | 0 | 112 | S133 R137 | S133-E135 PolarHBondContact O-N 3.47Å; E135-R137 PolarHBondContact O-N 2.95Å; E135-R137 IonicContact OE2-NH2 3.69Å | ||
| 136 | I | 53.4 | Low | 69.4 | Low | 103 Ų | 103 | 115.8 Ų | 115.8 | 53% | 0.528 | 62% | 0.615 | S | S | . | * | trans | -62.5 | 83.9 | 154.1 | -62.4 | 169.2 | 0 | 0 | 0 | 103.8 | E121 E134 P138 | E121-I136 WeakPolarHBondContact OE2-CD1 3.42Å; E134-I136 PolarHBondContact O-N 3.14Å; I136-P138 WeakPolarHBondContact O-CD 3.32Å | ||
| 137 | R | 54.4 | Low | 69.1 | Low | 151 Ų | 151 | 114.7 Ų | 114.7 | 57% | 0.57 | 62% | 0.621 | S | S | * | * | trans | -49.6 | 124.1 | 176.9 | 179.6 | 174.7 | -68 | -141.2 | 2.9 | 104.9 | E135 Y139 | E135-R137 PolarHBondContact O-N 2.95Å; E135-R137 IonicContact OE2-NH2 3.69Å; R137-Y139 PolarHBondContact O-N 2.65Å | ||
| 138 | P | 57.4 | Low | 69.1 | Low | 108 Ų | 108 | 110.4 Ų | 110.4 | 70% | 0.701 | 61% | 0.607 | S | S | * | * | trans | -45.9 | 117.7 | 174.6 | -26.8 | 32.2 | 0 | 0 | 0 | 106.9 | I136 K140 | I136-P138 WeakPolarHBondContact O-CD 3.32Å; P138-K140 PolarHBondContact O-N 3.26Å | ||
| 139 | Y | 54.6 | Low | 69.2 | Low | 190 Ų | 190 | 111.6 Ų | 111.6 | 75% | 0.745 | 61% | 0.61 | S | S | * | * | trans | -33.2 | 110.6 | -178.3 | 176.3 | -98.7 | 0 | 0 | 0 | 108.3 | R137 K141 A142 | R137-Y139 PolarHBondContact O-N 2.65Å; Y139-K141 PolarHBondContact O-N 2.88Å; Y139-A142 HydrophobicContact CE1-CB 4.3Å | ||
| 140 | K | 58.6 | Low | 69.4 | Low | 159 Ų | 159 | 113 Ų | 113 | 69% | 0.691 | 61% | 0.609 | S | S | * | * | trans | -51.3 | 114.9 | 174.6 | -80.4 | -170.9 | 169.9 | -175.9 | 0 | 104.6 | P138 A142 | P138-K140 PolarHBondContact O-N 3.26Å; K140-A142 PolarHBondContact O-N 3.16Å | ||
| 141 | K | 59.4 | Low | 69.8 | Low | 200 Ų | 200 | 116.3 Ų | 116.3 | 87% | 0.87 | 60% | 0.596 | S | S | * | * | trans | -46.5 | 120.5 | 179.9 | -73 | -162.7 | 176.8 | -176.9 | 0 | 106.3 | Y139 C143 | Y139-K141 PolarHBondContact O-N 2.88Å; K141-C143 PolarHBondContact O-N 3.12Å; K141-C143 VanDerWaalsContact O-N 3.14Å | ||
| 142 | A | 64.1 | Low | 70.6 | Confident | 61 Ų | 61 | 113.4 Ų | 113.4 | 50% | 0.504 | 58% | 0.584 | S | S | . | * | trans | -45.7 | 129.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | Y139 K140 T144 | Y139-A142 HydrophobicContact CE1-CB 4.3Å; K140-A142 PolarHBondContact O-N 3.16Å; A142-T144 PolarHBondContact O-N 3.48Å | ||
| 143 | C | 63.1 | Low | 71.8 | Confident | 116 Ų | 116 | 113.7 Ų | 113.7 | 78% | 0.784 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -51 | 118.2 | 177.3 | -174.8 | 0 | 0 | 0 | 0 | 106.7 | K141 T145 | K141-C143 PolarHBondContact O-N 3.12Å; K141-C143 VanDerWaalsContact O-N 3.14Å; C143-T145 PolarHBondContact O-N 3.48Å; C143-T145 VanDerWaalsContact O-N 3.16Å |
| 144 | T | 73.4 | Confident | 73.5 | Confident | 69 Ų | 69 | 113 Ų | 113 | 42% | 0.423 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 124.6 | -176.9 | 45.6 | 0 | 0 | 0 | 0 | 107.6 | A142 K149 | A142-T144 PolarHBondContact O-N 3.48Å; T144-K149 VanDerWaalsContact O-CE 3.29Å; T144-K149 WeakPolarHBondContact O-CE 3.43Å; T144-K149 WeakPolarHBondContact OG1-CE 3.39Å |
| 145 | T | 87.3 | Confident | 75 | Confident | 91 Ų | 91 | 109.6 Ų | 109.6 | 56% | 0.558 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -60 | 148 | 178.9 | 61.1 | 0 | 0 | 0 | 0 | 109.4 | C143 A147 H148 K149 | C143-T145 PolarHBondContact O-N 3.48Å; C143-T145 VanDerWaalsContact O-N 3.16Å; T145-A147 PolarHBondContact O-N 3.21Å; T145-H148 WeakPolarHBondContact O-CA 3.29Å; T145-H148 WeakPolarHBondContact O-CB 3.47Å; T145-H148 PolarHBondContact O-N 3.03Å; T145-H148 WeakPolarHBondContact OG1-CB 3.33Å; T145-H148 PolarHBondContact OG1-N 3.35Å; T145-K149 PolarHBondContact O-N 3.41Å |
| 146 | E | 88.1 | Confident | 76.8 | Confident | 124 Ų | 124 | 111.7 Ų | 111.7 | 58% | 0.579 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -50.5 | -40.9 | 175.9 | -73.1 | -77.9 | 106.5 | 0 | 0 | 111.2 | H148 K149 Q150 | E146-H148 PolarHBondContact O-N 3.09Å; E146-K149 WeakPolarHBondContact O-CB 3.41Å; E146-K149 PolarHBondContact O-N 3.03Å; E146-K149 IonicContact OE1-NZ 3.32Å; E146-K149 PolarHBondContact OE1-NZ 2.98Å; E146-Q150 WeakPolarHBondContact O-CG 3.5Å; E146-Q150 PolarHBondContact O-N 3.02Å |
| 147 | A | 87.6 | Confident | 78.4 | Confident | 66 Ų | 66 | 114.9 Ų | 114.9 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.6 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T145 Q150 R151 | T145-A147 PolarHBondContact O-N 3.21Å; A147-Q150 PolarHBondContact O-N 3.5Å; A147-R151 PolarHBondContact O-N 3.43Å |
| 148 | H | 88.6 | Confident | 79.7 | Confident | 82 Ų | 82 | 112.4 Ų | 112.4 | 38% | 0.38 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66 | -40.3 | 176.7 | -174.6 | 79.3 | 0 | 0 | 0 | 111.7 | T145 E146 R151 M152 | T145-H148 WeakPolarHBondContact O-CA 3.29Å; T145-H148 WeakPolarHBondContact O-CB 3.47Å; T145-H148 PolarHBondContact O-N 3.03Å; T145-H148 WeakPolarHBondContact OG1-CB 3.33Å; T145-H148 PolarHBondContact OG1-N 3.35Å; E146-H148 PolarHBondContact O-N 3.09Å; H148-R151 PolarHBondContact O-N 2.97Å; H148-M152 WeakPolarHBondContact O-CG 3.16Å; H148-M152 PolarHBondContact O-N 2.98Å |
| 149 | K | 91.5 | Very high | 80.5 | Confident | 92 Ų | 92 | 112.3 Ų | 112.3 | 40% | 0.4 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.8 | -45.4 | 175.5 | -61.7 | 178.1 | -165.7 | 162.7 | 0 | 111.6 | T144 T145 E146 M152 A153 | T144-K149 VanDerWaalsContact O-CE 3.29Å; T144-K149 WeakPolarHBondContact O-CE 3.43Å; T144-K149 WeakPolarHBondContact OG1-CE 3.39Å; T145-K149 PolarHBondContact O-N 3.41Å; E146-K149 WeakPolarHBondContact O-CB 3.41Å; E146-K149 PolarHBondContact O-N 3.03Å; E146-K149 IonicContact OE1-NZ 3.32Å; E146-K149 PolarHBondContact OE1-NZ 2.98Å; K149-M152 PolarHBondContact O-N 3.4Å; K149-A153 PolarHBondContact O-N 3.46Å |
| 150 | Q | 91.7 | Very high | 81 | Confident | 120 Ų | 120 | 112.5 Ų | 112.5 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.1 | -47.2 | 177.2 | -71.1 | 173.9 | 2.3 | 0 | 0 | 111.4 | E146 A147 M152 A153 L154 | E146-Q150 WeakPolarHBondContact O-CG 3.5Å; E146-Q150 PolarHBondContact O-N 3.02Å; A147-Q150 PolarHBondContact O-N 3.5Å; Q150-M152 VanDerWaalsContact C-N 3.35Å; Q150-M152 PolarHBondContact O-N 3.12Å; Q150-A153 WeakPolarHBondContact O-CB 3.5Å; Q150-A153 PolarHBondContact O-N 3.41Å; Q150-A153 VanDerWaalsContact O-N 3.12Å; Q150-L154 WeakPolarHBondContact O-CD1 3.46Å; Q150-L154 PolarHBondContact O-N 3.42Å |
| 151 | R | 90.6 | Very high | 80.6 | Confident | 153 Ų | 153 | 117.4 Ų | 117.4 | 58% | 0.577 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -56.3 | -47.8 | 174.9 | -178.9 | 179.8 | 177.8 | -96 | -0.7 | 111.7 | A147 H148 A153 L154 I155 | A147-R151 PolarHBondContact O-N 3.43Å; H148-R151 PolarHBondContact O-N 2.97Å; R151-A153 VanDerWaalsContact C-N 3.29Å; R151-A153 PolarHBondContact O-N 3.32Å; R151-L154 PolarHBondContact O-N 2.98Å; R151-I155 HydrophobicContact CG-CD1 4.01Å; R151-I155 WeakPolarHBondContact O-CG1 3.38Å; R151-I155 PolarHBondContact O-N 3.29Å |
| 152 | M | 91.8 | Very high | 81.7 | Confident | 55 Ų | 55 | 113.3 Ų | 113.3 | 27% | 0.271 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.8 | -38.4 | 177.4 | -73.1 | -62.4 | 104.8 | 0 | 0 | 112.1 | H148 K149 Q150 I155 R156 | H148-M152 WeakPolarHBondContact O-CG 3.16Å; H148-M152 PolarHBondContact O-N 2.98Å; K149-M152 PolarHBondContact O-N 3.4Å; Q150-M152 VanDerWaalsContact C-N 3.35Å; Q150-M152 PolarHBondContact O-N 3.12Å; M152-I155 HydrophobicContact CE-CD1 3.65Å; M152-I155 PolarHBondContact O-N 2.94Å; M152-R156 VanDerWaalsContact O-CG 3.32Å; M152-R156 WeakPolarHBondContact O-CG 3.35Å; M152-R156 PolarHBondContact O-N 3.44Å |
| 153 | A | 89.4 | Confident | 82.6 | Confident | 44 Ų | 44 | 116 Ų | 116 | 36% | 0.364 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.4 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K149 Q150 R151 R156 K157 | K149-A153 PolarHBondContact O-N 3.46Å; Q150-A153 WeakPolarHBondContact O-CB 3.5Å; Q150-A153 PolarHBondContact O-N 3.41Å; Q150-A153 VanDerWaalsContact O-N 3.12Å; R151-A153 VanDerWaalsContact C-N 3.29Å; R151-A153 PolarHBondContact O-N 3.32Å; A153-R156 PolarHBondContact O-N 2.96Å; A153-K157 WeakPolarHBondContact O-CG 3.46Å; A153-K157 PolarHBondContact O-N 3.03Å; A153-K157 VanDerWaalsContact O-N 3.12Å |
| 154 | L | 89.5 | Confident | 83.7 | Confident | 114 Ų | 114 | 116 Ų | 116 | 60% | 0.597 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.9 | -46 | 174.4 | -89.4 | 79.5 | 0 | 0 | 0 | 111.3 | Q150 R151 R156 K157 T158 | Q150-L154 WeakPolarHBondContact O-CD1 3.46Å; Q150-L154 PolarHBondContact O-N 3.42Å; R151-L154 PolarHBondContact O-N 2.98Å; L154-R156 VanDerWaalsContact C-N 3.35Å; L154-R156 PolarHBondContact O-N 2.9Å; L154-K157 WeakPolarHBondContact O-CB 3.46Å; L154-K157 PolarHBondContact O-N 3.28Å; L154-K157 VanDerWaalsContact O-N 3.09Å; L154-T158 WeakPolarHBondContact O-CG2 3.46Å; L154-T158 PolarHBondContact O-N 3.36Å; L154-T158 PolarHBondContact O-OG1 3.31Å |
| 155 | I | 90.4 | Very high | 84.3 | Confident | 65 Ų | 65 | 118.8 Ų | 118.8 | 33% | 0.333 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.4 | -44.6 | 178.2 | -68.4 | 169.7 | 0 | 0 | 0 | 111.3 | R151 M152 K157 T158 T159 | R151-I155 HydrophobicContact CG-CD1 4.01Å; R151-I155 WeakPolarHBondContact O-CG1 3.38Å; R151-I155 PolarHBondContact O-N 3.29Å; M152-I155 HydrophobicContact CE-CD1 3.65Å; M152-I155 PolarHBondContact O-N 2.94Å; I155-K157 VanDerWaalsContact C-N 3.26Å; I155-K157 PolarHBondContact O-N 3.18Å; I155-T158 PolarHBondContact O-N 3.34Å; I155-T158 PolarHBondContact O-OG1 3.24Å; I155-T159 PolarHBondContact O-N 3.04Å; I155-T159 PolarHBondContact O-OG1 3.5Å |
| 156 | R | 88.6 | Confident | 84.1 | Confident | 182 Ų | 182 | 120.5 Ų | 120.5 | 69% | 0.687 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.9 | -31.5 | 176.6 | -72.1 | 175.9 | -169.5 | -178.4 | 3.2 | 112.9 | M152 A153 L154 | M152-R156 VanDerWaalsContact O-CG 3.32Å; M152-R156 WeakPolarHBondContact O-CG 3.35Å; M152-R156 PolarHBondContact O-N 3.44Å; A153-R156 PolarHBondContact O-N 2.96Å; L154-R156 VanDerWaalsContact C-N 3.35Å; L154-R156 PolarHBondContact O-N 2.9Å |
| 157 | K | 86.8 | Confident | 83.8 | Confident | 170 Ų | 170 | 120.3 Ų | 120.3 | 74% | 0.739 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73.5 | -34.6 | 176.1 | -75.8 | 178.7 | 177.4 | -176.2 | 0 | 111.9 | A153 L154 I155 | A153-K157 WeakPolarHBondContact O-CG 3.46Å; A153-K157 PolarHBondContact O-N 3.03Å; A153-K157 VanDerWaalsContact O-N 3.12Å; L154-K157 WeakPolarHBondContact O-CB 3.46Å; L154-K157 PolarHBondContact O-N 3.28Å; L154-K157 VanDerWaalsContact O-N 3.09Å; I155-K157 VanDerWaalsContact C-N 3.26Å; I155-K157 PolarHBondContact O-N 3.18Å |
| 158 | T | 81.3 | Confident | 83.6 | Confident | 99 Ų | 99 | 124.1 Ų | 124.1 | 61% | 0.607 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -83.3 | -27.7 | -177.9 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | L154 I155 K160 | L154-T158 WeakPolarHBondContact O-CG2 3.46Å; L154-T158 PolarHBondContact O-N 3.36Å; L154-T158 PolarHBondContact O-OG1 3.31Å; I155-T158 PolarHBondContact O-N 3.34Å; I155-T158 PolarHBondContact O-OG1 3.24Å; T158-K160 VanDerWaalsContact C-N 3.3Å; T158-K160 PolarHBondContact O-N 3.39Å |
| 159 | T | 74.5 | Confident | 83.2 | Confident | 107 Ų | 107 | 127.4 Ų | 127.4 | 66% | 0.656 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -4 | 176.1 | 32.6 | 0 | 0 | 0 | 0 | 114.3 | I155 K161 | I155-T159 PolarHBondContact O-N 3.04Å; I155-T159 PolarHBondContact O-OG1 3.5Å; T159-K161 VanDerWaalsContact C-N 3.31Å; T159-K161 PolarHBondContact O-N 2.69Å |
| 160 | K | 64.1 | Low | 82.5 | Confident | 194 Ų | 194 | 130.3 Ų | 130.3 | 84% | 0.843 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 23.7 | 179.3 | -129.6 | 179.6 | -176.1 | -174.4 | 0 | 113.5 | T158 | T158-K160 VanDerWaalsContact C-N 3.3Å; T158-K160 PolarHBondContact O-N 3.39Å |
| 161 | K | 51.4 | Low | 81.6 | Confident | 261 Ų | 261 | 131.3 Ų | 131.3 | 100% | 1.135 | 62% | 0.619 | S | S | * | * | trans | -109.3 | 0 | 176.3 | -95.2 | -171.6 | 174.4 | -176.7 | 0 | 110.7 | T159 | T159-K161 VanDerWaalsContact C-N 3.31Å; T159-K161 PolarHBondContact O-N 2.69Å |
Retrieved 161 of 161 residues in 778.9 ms
(Link to these results)