| 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 | H | 35.4 | Very low | 39.3 | Very low | 229 Ų | 229 | 153 Ų | 153 | 100% | 1.06 | 75% | 0.75 | S | S | * | * | 0 | 126.2 | 0 | -75.9 | -53.1 | 0 | 0 | 0 | 107.7 | |||||
| 2 | F | 35.4 | Very low | 38.9 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 77% | 0.768 | 75% | 0.754 | S | S | * | * | cis | -163.3 | 110.1 | 3.8 | -121.8 | -86.4 | 0 | 0 | 0 | 101.6 | ||||
| 3 | F | 39.8 | Very low | 39 | Very low | 184 Ų | 184 | 146.8 Ų | 146.8 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | 64.5 | 133.4 | 99.6 | -120.4 | -85.6 | 0 | 0 | 0 | 116.6 | |||||
| 4 | K | 40.8 | Very low | 39.8 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | 102.9 | 104.3 | 148.8 | -135.1 | 158.9 | -179.4 | 168.8 | 0 | 114.8 | ||||
| 5 | K | 41.9 | Very low | 39.5 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | 90.2 | 136.5 | 54.9 | -170.3 | -171.6 | -178.3 | 179.3 | 0 | 111 | |||||
| 6 | E | 43.5 | Very low | 39.4 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | trans | 117.1 | 136.3 | 159 | -67 | -162.7 | 160.4 | 0 | 0 | 114.5 | ||||
| 7 | M | 47.4 | Very low | 39.9 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 62% | 0.621 | 76% | 0.76 | S | S | * | * | cis | -173.4 | 147.9 | -11.4 | -116 | 176.1 | -168.6 | 0 | 0 | 107.3 | ||||
| 8 | E | 43.5 | Very low | 39.9 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | 62.7 | 144.3 | 138.6 | -71.7 | -133.1 | 154.8 | 0 | 0 | 121.4 | ||||
| 9 | E | 37.8 | Very low | 39.5 | Very low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | cis | -166.5 | 162.1 | 3.9 | -87.6 | -99.6 | 118.7 | 0 | 0 | 104.7 | ||||
| 10 | G | 32.8 | Very low | 39.3 | Very low | 55 Ų | 55 | 137.7 Ų | 137.7 | 57% | 0.567 | 76% | 0.757 | S | S | * | * | cis | 179.1 | 178.9 | 15.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 11 | S | 34.3 | Very low | 39 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 52.7 | 102.9 | 154.9 | 63 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 12 | S | 34.3 | Very low | 38.9 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | 74.9 | 105.3 | 78.7 | -161.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 13 | S | 40.8 | Very low | 38.6 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | -65 | 153.4 | 148.4 | -67.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 14 | P | 49.8 | Very low | 38.3 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | -154.9 | 159.4 | 85.6 | 34.3 | -11.8 | 0 | 0 | 0 | 117.9 | |||||
| 15 | V | 34.6 | Very low | 38.2 | Very low | 144 Ų | 144 | 126.2 Ų | 126.2 | 87% | 0.873 | 74% | 0.737 | S | S | * | * | trans | 57.3 | 133.1 | 139.5 | -177.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 16 | S | 38.1 | Very low | 38 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | trans | -59 | 166.8 | 176.2 | -42.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 17 | P | 47.9 | Very low | 37.9 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | -156 | 163.4 | 89.1 | 37.9 | -16.1 | 0 | 0 | 0 | 118.8 | |||||
| 18 | V | 39.7 | Very low | 37.6 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | 9.2 | 143.8 | 156.6 | -33.8 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 19 | D | 32 | Very low | 37.4 | Very low | 147 Ų | 147 | 126 Ų | 126 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | 72.8 | 137 | 135.7 | -83 | -44.1 | 0 | 0 | 0 | 125.1 | ||||
| 20 | S | 36.7 | Very low | 37.4 | Very low | 94 Ų | 94 | 130 Ų | 130 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | trans | 99.6 | 108.9 | 143.2 | -64.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 21 | L | 32.7 | Very low | 37.7 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | 72.4 | 117 | 124.8 | -65.4 | 164.3 | 0 | 0 | 0 | 120.8 | |||||
| 22 | V | 32.2 | Very low | 38.1 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | 59.4 | 138.8 | 125.1 | 102.6 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 23 | T | 29.5 | Very low | 38.3 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | cis | -144.5 | 154.6 | 7.8 | 47.9 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 24 | S | 33.7 | Very low | 38.2 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | 149.4 | 138.3 | 89.2 | -105.4 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 25 | E | 39.6 | Very low | 37.6 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | 53.9 | 109.9 | 151.7 | -40.9 | -57 | 85.8 | 0 | 0 | 120.4 | ||||
| 26 | E | 38.2 | Very low | 38 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | 164.3 | 135.2 | 94 | -149.3 | -177.6 | 124.8 | 0 | 0 | 110.5 | |||||
| 27 | E | 40 | Very low | 38.6 | Very low | 137 Ų | 137 | 153.8 Ų | 153.8 | 64% | 0.64 | 77% | 0.771 | S | S | * | * | trans | -75.8 | 159.6 | -178.3 | -147.5 | -154.7 | 112.7 | 0 | 0 | 111.7 | E29 | E27-E29 WeakPolarHBondContact OE1-CA 3.16Å; E27-E29 WeakPolarHBondContact OE1-CB 3.49Å; E27-E29 PolarHBondContact OE1-N 2.89Å | ||
| 28 | P | 41.2 | Very low | 38.4 | Very low | 123 Ų | 123 | 157.3 Ų | 157.3 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | -147.2 | 135 | 87.4 | 31.8 | -11.2 | 0 | 0 | 0 | 116.4 | |||||
| 29 | E | 39.3 | Very low | 38.5 | Very low | 130 Ų | 130 | 162.7 Ų | 162.7 | 61% | 0.607 | 78% | 0.78 | S | S | * | * | trans | 32.4 | 102.7 | 135.5 | -133.1 | 177.3 | 134.1 | 0 | 0 | 119.6 | E27 Q31 | E27-E29 WeakPolarHBondContact OE1-CA 3.16Å; E27-E29 WeakPolarHBondContact OE1-CB 3.49Å; E27-E29 PolarHBondContact OE1-N 2.89Å; E29-Q31 PolarHBondContact OE1-NE2 3.31Å | ||
| 30 | R | 38.9 | Very low | 39.1 | Very low | 240 Ų | 240 | 166.9 Ų | 166.9 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | -130.3 | 101.8 | 146.1 | -96.5 | -175.9 | 176.7 | 149 | 0.3 | 111.1 | Q32 | R30-Q32 PolarHBondContact O-N 2.84Å; R30-Q32 VanDerWaalsContact O-N 3.17Å | ||
| 31 | Q | 38.4 | Very low | 39.3 | Very low | 163 Ų | 163 | 171.9 Ų | 171.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -46.9 | 111.5 | 169.3 | -70.1 | 158.8 | -3.9 | 0 | 0 | 111.8 | E29 | E29-Q31 PolarHBondContact OE1-NE2 3.31Š| ||
| 32 | Q | 42.4 | Very low | 39.8 | Very low | 174 Ų | 174 | 170.2 Ų | 170.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -110.5 | 98.3 | 161.1 | -70 | -172.7 | -6.7 | 0 | 0 | 108.6 | R30 R34 | R30-Q32 PolarHBondContact O-N 2.84Å; R30-Q32 VanDerWaalsContact O-N 3.17Å; Q32-R34 PolarHBondContact O-N 3.27Å | ||
| 33 | K | 39.4 | Very low | 40.2 | Very low | 188 Ų | 188 | 174.1 Ų | 174.1 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | trans | -54.8 | 95.1 | 168.1 | -86.3 | 177.5 | 176.6 | 170 | 0 | 109.6 | F35 | K33-F35 PolarHBondContact O-N 3.31Š| ||
| 34 | R | 38.8 | Very low | 40.7 | Very low | 221 Ų | 221 | 178.2 Ų | 178.2 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -75.3 | 101.5 | 167 | -62.4 | -156.7 | 73.9 | -178.1 | 3.3 | 108.5 | Q32 S36 | Q32-R34 PolarHBondContact O-N 3.27Å; R34-S36 PolarHBondContact O-N 3.07Å | ||
| 35 | F | 36.5 | Very low | 40.9 | Very low | 177 Ų | 177 | 179 Ų | 179 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -68.6 | 87.2 | 164.4 | -86.8 | -84.6 | 0 | 0 | 0 | 109.6 | K33 R37 | K33-F35 PolarHBondContact O-N 3.31Å; F35-R37 PolarHBondContact O-N 3.06Å | ||
| 36 | S | 43.7 | Very low | 40.8 | Very low | 105 Ų | 105 | 174.4 Ų | 174.4 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | -71.2 | 86.9 | 170.1 | -61.1 | 0 | 0 | 0 | 0 | 109.7 | R34 K38 | R34-S36 PolarHBondContact O-N 3.07Å; S36-K38 PolarHBondContact O-N 2.83Å | ||
| 37 | R | 49.9 | Very low | 40.7 | Very low | 230 Ų | 230 | 173.8 Ų | 173.8 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | trans | -72 | 92.1 | 170.7 | -72.5 | -175.8 | 179 | 169.2 | 0.1 | 109.8 | F35 R39 | F35-R37 PolarHBondContact O-N 3.06Å; R37-R39 PolarHBondContact O-N 2.77Å; R37-R39 VanDerWaalsContact O-N 3.16Å | ||
| 38 | K | 42.6 | Very low | 40.5 | Very low | 191 Ų | 191 | 174.1 Ų | 174.1 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | trans | -67 | 100.8 | 171.2 | -167.7 | 118.5 | 178.6 | 178.8 | 0 | 109.6 | S36 R40 | S36-K38 PolarHBondContact O-N 2.83Å; K38-R40 PolarHBondContact O-N 2.89Å | ||
| 39 | R | 42.1 | Very low | 40.5 | Very low | 241 Ų | 241 | 173 Ų | 173 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -72.2 | 107.7 | 169.6 | -71.3 | -175.4 | 81 | 126.4 | -1 | 108.8 | R37 | R37-R39 PolarHBondContact O-N 2.77Å; R37-R39 VanDerWaalsContact O-N 3.16Å | ||
| 40 | R | 44.3 | Very low | 40.4 | Very low | 234 Ų | 234 | 172.5 Ų | 172.5 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -74.9 | 128.1 | 172.2 | -61.1 | -179 | 89.2 | 174.9 | 5.2 | 108.8 | K38 | K38-R40 PolarHBondContact O-N 2.89Š| ||
| 41 | H | 42.3 | Very low | 40.1 | Very low | 199 Ų | 199 | 164.8 Ų | 164.8 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | -65.6 | 127.3 | 165.4 | -96.4 | 52 | 0 | 0 | 0 | 109 | ||||
| 42 | S | 42.6 | Very low | 40.3 | Very low | 118 Ų | 118 | 163.2 Ų | 163.2 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -116.2 | 112.9 | 166.1 | -170.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 43 | K | 40.6 | Very low | 39.8 | Very low | 211 Ų | 211 | 158.1 Ų | 158.1 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -86.2 | 116.1 | 175.1 | -137.7 | 173.3 | -179 | 174.5 | 0 | 106 | ||||
| 44 | K | 40.1 | Very low | 39.7 | Very low | 199 Ų | 199 | 155 Ų | 155 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | trans | -120.1 | 108 | 173.3 | -175.3 | 98.8 | 178.3 | -171.5 | 0 | 108.1 | ||||
| 45 | S | 37 | Very low | 40 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | trans | -75.3 | 146.6 | 167.4 | 38.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 46 | G | 38.2 | Very low | 40.7 | Very low | 77 Ų | 77 | 148.2 Ų | 148.2 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | -159.4 | 102.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 47 | E | 36.4 | Very low | 40.5 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | -85.4 | 155.2 | 159.2 | -61.1 | 159.9 | 124.7 | 0 | 0 | 105.8 | ||||
| 48 | D | 36.1 | Very low | 40.6 | Very low | 144 Ų | 144 | 142.2 Ų | 142.2 | 77% | 0.77 | 83% | 0.832 | S | S | * | * | cis | -170.4 | 170.9 | 24.4 | -144.5 | -23.9 | 0 | 0 | 0 | 111.4 | ||||
| 49 | S | 40.3 | Very low | 40.6 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 70% | 0.699 | 83% | 0.827 | S | S | * | * | trans | 74.2 | 143.5 | 156.8 | -67.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 50 | S | 38.1 | Very low | 41.1 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | cis | -174.8 | 152.6 | -12 | 49.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 51 | G | 32 | Very low | 41.6 | Very low | 78 Ų | 78 | 125.7 Ų | 125.7 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 166.1 | 70.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 52 | S | 42 | Very low | 42.2 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | 36.6 | 129.9 | 140.9 | -178.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 53 | G | 32.8 | Very low | 42.6 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | 113.6 | 121.6 | 144.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 54 | S | 36.3 | Very low | 43.1 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | cis | -160.9 | 142.3 | 25.7 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 55 | S | 46.1 | Very low | 43.8 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | 24.2 | 156 | 154.3 | -63.7 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 56 | P | 51.8 | Low | 44.7 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -114 | 164.2 | -155.6 | 40.1 | -26.5 | 0 | 0 | 0 | 115.9 | ||||
| 57 | G | 38.1 | Very low | 45.5 | Very low | 71 Ų | 71 | 132.1 Ų | 132.1 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | -147.1 | 138 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 58 | P | 52.5 | Low | 46.6 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | -96.8 | 139.6 | -170.4 | 35.9 | -30.3 | 0 | 0 | 0 | 113 | ||||
| 59 | G | 42.6 | Very low | 47.6 | Very low | 71 Ų | 71 | 127.5 Ų | 127.5 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -167.2 | 127.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 60 | P | 53.7 | Low | 48.5 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -96.6 | 142.4 | -165 | 37.8 | -34.4 | 0 | 0 | 0 | 114.5 | ||||
| 61 | V | 54.7 | Low | 49.3 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | 44.5 | 114.8 | 145 | -57.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 62 | K | 54.8 | Low | 50.7 | Low | 212 Ų | 212 | 128 Ų | 128 | 92% | 0.922 | 80% | 0.802 | S | S | * | * | -145.4 | 109 | 126.9 | -70.1 | -162.3 | 179.4 | 173.4 | 0 | 110.3 | G64 | K62-G64 PolarHBondContact O-N 3.11Š| |||
| 63 | R | 50.6 | Low | 51.9 | Low | 251 Ų | 251 | 126.8 Ų | 126.8 | 95% | 0.947 | 78% | 0.782 | S | S | * | * | trans | -62.4 | 97.3 | 170.5 | -79.2 | 173.5 | 161.4 | -172.1 | -5.1 | 109.2 | K65 | R63-K65 PolarHBondContact O-N 3.41Š| ||
| 64 | G | 51.7 | Low | 54.3 | Low | 65 Ų | 65 | 126.7 Ų | 126.7 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | trans | -63.9 | 121 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | K62 K66 | K62-G64 PolarHBondContact O-N 3.11Å; G64-K66 PolarHBondContact O-N 3.33Å | ||
| 65 | K | 54.1 | Low | 56.8 | Low | 209 Ų | 209 | 129.4 Ų | 129.4 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -53.3 | 104.2 | 171.9 | -76.2 | 165.2 | 171.3 | 174.6 | 0 | 108.3 | R63 | R63-K65 PolarHBondContact O-N 3.41Š| ||
| 66 | K | 55.7 | Low | 59 | Low | 189 Ų | 189 | 129.7 Ų | 129.7 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 130.6 | 165.2 | -66.8 | -167.9 | 176.7 | -174.4 | 0 | 106.9 | G64 S68 | G64-K66 PolarHBondContact O-N 3.33Å; K66-S68 PolarHBondContact O-N 3.34Å |
| 67 | P | 56 | Low | 60.9 | Low | 124 Ų | 124 | 128.6 Ų | 128.6 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 124.1 | 170.5 | 25.5 | -30.8 | 0 | 0 | 0 | 107.6 | ||
| 68 | S | 57.7 | Low | 63.6 | Low | 88 Ų | 88 | 127.9 Ų | 127.9 | 62% | 0.615 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 136.4 | 172.7 | 45.3 | 0 | 0 | 0 | 0 | 109.5 | K66 S70 | K66-S68 PolarHBondContact O-N 3.34Å; S68-S70 PolarHBondContact O-N 3.44Å |
| 69 | P | 57 | Low | 65.6 | Low | 140 Ų | 140 | 125 Ų | 125 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | trans | -79.8 | 75.2 | 174.3 | 34.3 | -30.9 | 0 | 0 | 0 | 107.8 | ||||
| 70 | S | 59.3 | Low | 68.1 | Low | 93 Ų | 93 | 125.7 Ų | 125.7 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | trans | -127.6 | 77.9 | 175.3 | 65.9 | 0 | 0 | 0 | 0 | 109.6 | S68 | S68-S70 PolarHBondContact O-N 3.44Š| ||
| 71 | S | 55.9 | Low | 70.1 | Confident | 91 Ų | 91 | 125.7 Ų | 125.7 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | trans | -139.9 | 106.8 | 143.7 | 64 | 0 | 0 | 0 | 0 | 105.6 | Q73 | S71-Q73 PolarHBondContact O-N 3.42Š| ||
| 72 | S | 62 | Low | 72.1 | Confident | 124 Ų | 124 | 126.3 Ų | 126.3 | 87% | 0.867 | 65% | 0.653 | S | S | * | * | trans | -45.9 | 99.6 | 153.3 | -55.6 | 0 | 0 | 0 | 0 | 105.6 | S74 | S72-S74 PolarHBondContact O-N 2.92Š| ||
| 73 | Q | 65.8 | Low | 74.2 | Confident | 104 Ų | 104 | 119.6 Ų | 119.6 | 49% | 0.486 | 63% | 0.63 | S | S | . | * | trans | -51.9 | 123.5 | 179.2 | -71.7 | -172.6 | -75.8 | 0 | 0 | 105.6 | S71 Y75 L78 | S71-Q73 PolarHBondContact O-N 3.42Å; Q73-Y75 PolarHBondContact O-N 2.76Å; Q73-L78 HydrophobicContact CB-CD1 3.27Å; Q73-L78 HydrophobicContact CG-CD1 4.05Å; Q73-L78 VanDerWaalsContact OE1-CD1 3.31Å | ||
| 74 | S | 84.6 | Confident | 76.4 | Confident | 65 Ų | 65 | 113.3 Ų | 113.3 | 46% | 0.455 | 61% | 0.614 | S | S | . | * | trans | -54.1 | 137.8 | -178.9 | 177 | 0 | 0 | 0 | 0 | 107.2 | S72 E76 E77 L78 | S72-S74 PolarHBondContact O-N 2.92Å; S74-E76 PolarHBondContact O-N 3.06Å; S74-E77 WeakPolarHBondContact O-CA 3.4Å; S74-E77 WeakPolarHBondContact O-CB 3.33Å; S74-E77 PolarHBondContact O-N 2.86Å; S74-L78 PolarHBondContact O-N 3.22Å; S74-L78 VanDerWaalsContact O-N 3.1Å | ||
| 75 | Y | 89 | Confident | 78.6 | Confident | 180 Ų | 180 | 112.6 Ų | 112.6 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -50 | -34.4 | 178.1 | 173.4 | -96.1 | 0 | 0 | 0 | 111.4 | Q73 L78 Q79 | Q73-Y75 PolarHBondContact O-N 2.76Å; Y75-L78 PolarHBondContact O-N 3.49Å; Y75-Q79 WeakPolarHBondContact O-CB 3.31Å; Y75-Q79 PolarHBondContact O-N 3.17Å |
| 76 | E | 91.6 | Very high | 80.7 | Confident | 130 Ų | 130 | 108.1 Ų | 108.1 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.2 | -42.2 | 174.2 | -170.1 | 173.5 | -172.4 | 0 | 0 | 113.4 | S74 Q79 N80 | S74-E76 PolarHBondContact O-N 3.06Å; E76-Q79 PolarHBondContact O-N 3.31Å; E76-N80 WeakPolarHBondContact O-CB 3.3Å; E76-N80 PolarHBondContact O-N 2.9Å; E76-N80 PolarHBondContact O-ND2 3.03Å |
| 77 | E | 92.2 | Very high | 82.7 | Confident | 107 Ų | 107 | 102.4 Ų | 102.4 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.2 | -39.2 | 177.3 | -167.4 | 173.1 | -148.2 | 0 | 0 | 111.6 | S74 Q79 N80 Q81 | S74-E77 WeakPolarHBondContact O-CA 3.4Å; S74-E77 WeakPolarHBondContact O-CB 3.33Å; S74-E77 PolarHBondContact O-N 2.86Å; E77-Q79 VanDerWaalsContact C-N 3.32Å; E77-Q79 PolarHBondContact O-N 3.46Å; E77-N80 PolarHBondContact O-N 3.49Å; E77-Q81 WeakPolarHBondContact O-CB 3.26Å; E77-Q81 PolarHBondContact O-N 3.46Å |
| 78 | L | 93.3 | Very high | 84.8 | Confident | 56 Ų | 56 | 105.2 Ų | 105.2 | 29% | 0.293 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.9 | -42.1 | 171.2 | -111.9 | 74.3 | 0 | 0 | 0 | 111.8 | Q73 S74 Y75 Q81 R82 | Q73-L78 HydrophobicContact CB-CD1 3.27Å; Q73-L78 HydrophobicContact CG-CD1 4.05Å; Q73-L78 VanDerWaalsContact OE1-CD1 3.31Å; S74-L78 PolarHBondContact O-N 3.22Å; S74-L78 VanDerWaalsContact O-N 3.1Å; Y75-L78 PolarHBondContact O-N 3.49Å; L78-Q81 PolarHBondContact O-N 3.42Å; L78-R82 WeakPolarHBondContact O-CG 3.44Å; L78-R82 PolarHBondContact O-N 3.34Å; L78-R82 VanDerWaalsContact O-N 3.08Å |
| 79 | Q | 94.8 | Very high | 86.7 | Confident | 77 Ų | 77 | 105.1 Ų | 105.1 | 36% | 0.36 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.9 | -42.4 | 179.5 | -169.5 | 64.4 | 5.5 | 0 | 0 | 111 | Y75 E76 E77 Q81 R82 V83 | Y75-Q79 WeakPolarHBondContact O-CB 3.31Å; Y75-Q79 PolarHBondContact O-N 3.17Å; E76-Q79 PolarHBondContact O-N 3.31Å; E77-Q79 VanDerWaalsContact C-N 3.32Å; E77-Q79 PolarHBondContact O-N 3.46Å; Q79-Q81 VanDerWaalsContact C-N 3.33Å; Q79-Q81 PolarHBondContact O-N 2.98Å; Q79-R82 WeakPolarHBondContact O-CB 3.27Å; Q79-R82 PolarHBondContact O-N 2.96Å; Q79-V83 WeakPolarHBondContact O-CG2 3.15Å; Q79-V83 PolarHBondContact O-N 3.15Å |
| 80 | N | 95 | Very high | 88.7 | Confident | 87 Ų | 87 | 107.7 Ų | 107.7 | 47% | 0.465 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 174.5 | -70.9 | -21.5 | 0 | 0 | 0 | 111.5 | E76 E77 R82 V83 L84 | E76-N80 WeakPolarHBondContact O-CB 3.3Å; E76-N80 PolarHBondContact O-N 2.9Å; E76-N80 PolarHBondContact O-ND2 3.03Å; E77-N80 PolarHBondContact O-N 3.49Å; N80-R82 VanDerWaalsContact C-N 3.33Å; N80-R82 PolarHBondContact O-N 2.92Å; N80-V83 PolarHBondContact O-N 3.12Å; N80-L84 WeakPolarHBondContact O-CG 3.44Å; N80-L84 PolarHBondContact O-N 3.44Å |
| 81 | Q | 96.1 | Very high | 90.6 | Very high | 119 Ų | 119 | 108.9 Ų | 108.9 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 175.8 | -169.1 | 179.9 | 22.2 | 0 | 0 | 112.2 | E77 L78 Q79 L84 A85 | E77-Q81 WeakPolarHBondContact O-CB 3.26Å; E77-Q81 PolarHBondContact O-N 3.46Å; L78-Q81 PolarHBondContact O-N 3.42Å; Q79-Q81 VanDerWaalsContact C-N 3.33Å; Q79-Q81 PolarHBondContact O-N 2.98Å; Q81-L84 PolarHBondContact O-N 3Å; Q81-A85 WeakPolarHBondContact O-CB 3.29Å; Q81-A85 PolarHBondContact O-N 3.2Å |
| 82 | R | 97.4 | Very high | 92.6 | Very high | 141 Ų | 141 | 112.4 Ų | 112.4 | 53% | 0.532 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.2 | -72.1 | 169.9 | 177.5 | -176.5 | -0.7 | 111.9 | L78 Q79 N80 A85 N86 | L78-R82 WeakPolarHBondContact O-CG 3.44Å; L78-R82 PolarHBondContact O-N 3.34Å; L78-R82 VanDerWaalsContact O-N 3.08Å; Q79-R82 WeakPolarHBondContact O-CB 3.27Å; Q79-R82 PolarHBondContact O-N 2.96Å; N80-R82 VanDerWaalsContact C-N 3.33Å; N80-R82 PolarHBondContact O-N 2.92Å; R82-A85 PolarHBondContact O-N 3.16Å; R82-N86 VanDerWaalsContact O-CG 3.3Å; R82-N86 PolarHBondContact O-N 3.42Å; R82-N86 PolarHBondContact O-ND2 3.25Å |
| 83 | V | 97.8 | Very high | 94.3 | Very high | 72 Ų | 72 | 109.3 Ų | 109.3 | 44% | 0.436 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | Q79 N80 A85 N86 V87 | Q79-V83 WeakPolarHBondContact O-CG2 3.15Å; Q79-V83 PolarHBondContact O-N 3.15Å; N80-V83 PolarHBondContact O-N 3.12Å; V83-A85 VanDerWaalsContact C-N 3.32Å; V83-A85 PolarHBondContact O-N 3Å; V83-N86 PolarHBondContact O-N 3.06Å; V83-N86 VanDerWaalsContact O-N 3.16Å; V83-V87 WeakPolarHBondContact O-CG2 3.23Å; V83-V87 PolarHBondContact O-N 3.33Å |
| 84 | L | 97.7 | Very high | 95.9 | Very high | 119 Ų | 119 | 109 Ų | 109 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.7 | -40.1 | 177.7 | -69.5 | 173.5 | 0 | 0 | 0 | 112.4 | N80 Q81 V87 R88 | N80-L84 WeakPolarHBondContact O-CG 3.44Å; N80-L84 PolarHBondContact O-N 3.44Å; Q81-L84 PolarHBondContact O-N 3Å; L84-V87 PolarHBondContact O-N 2.66Å; L84-R88 PolarHBondContact O-N 2.93Å |
| 85 | A | 97.6 | Very high | 96.5 | Very high | 50 Ų | 50 | 109.6 Ų | 109.6 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q81 R82 V83 R88 E89 | Q81-A85 WeakPolarHBondContact O-CB 3.29Å; Q81-A85 PolarHBondContact O-N 3.2Å; R82-A85 PolarHBondContact O-N 3.16Å; V83-A85 VanDerWaalsContact C-N 3.32Å; V83-A85 PolarHBondContact O-N 3Å; A85-R88 PolarHBondContact O-N 3.17Å; A85-E89 PolarHBondContact O-N 2.78Å |
| 86 | N | 98.5 | Very high | 97 | Very high | 114 Ų | 114 | 104.8 Ų | 104.8 | 61% | 0.61 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 176.9 | -72.3 | -24.4 | 0 | 0 | 0 | 112.3 | R82 V83 R88 E89 R90 | R82-N86 VanDerWaalsContact O-CG 3.3Å; R82-N86 PolarHBondContact O-N 3.42Å; R82-N86 PolarHBondContact O-ND2 3.25Å; V83-N86 PolarHBondContact O-N 3.06Å; V83-N86 VanDerWaalsContact O-N 3.16Å; N86-R88 VanDerWaalsContact C-N 3.35Å; N86-E89 PolarHBondContact O-N 3.35Å; N86-R90 WeakPolarHBondContact O-CB 3.31Å; N86-R90 PolarHBondContact O-N 2.73Å |
| 87 | V | 98.4 | Very high | 97.3 | Very high | 69 Ų | 69 | 101.8 Ų | 101.8 | 42% | 0.418 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | V83 L84 E89 R90 Q91 | V83-V87 WeakPolarHBondContact O-CG2 3.23Å; V83-V87 PolarHBondContact O-N 3.33Å; L84-V87 PolarHBondContact O-N 2.66Å; V87-E89 PolarHBondContact O-N 2.98Å; V87-R90 WeakPolarHBondContact O-CB 3.13Å; V87-R90 PolarHBondContact O-N 3.35Å; V87-Q91 WeakPolarHBondContact O-CG 3.46Å; V87-Q91 PolarHBondContact O-N 2.95Å |
| 88 | R | 98.4 | Very high | 97.6 | Very high | 183 Ų | 183 | 101.6 Ų | 101.6 | 69% | 0.691 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.8 | -44.5 | 178.3 | -176.7 | -179 | -75.2 | 140.1 | -4.6 | 112 | L84 A85 N86 R90 Q91 R92 | L84-R88 PolarHBondContact O-N 2.93Å; A85-R88 PolarHBondContact O-N 3.17Å; N86-R88 VanDerWaalsContact C-N 3.35Å; R88-R90 VanDerWaalsContact C-N 3.33Å; R88-R90 PolarHBondContact O-N 3.08Å; R88-Q91 PolarHBondContact O-N 3.3Å; R88-R92 PolarHBondContact O-N 3.12Å |
| 89 | E | 98.5 | Very high | 97.8 | Very high | 86 Ų | 86 | 101.9 Ų | 101.9 | 40% | 0.402 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -35.7 | 178.9 | -177.4 | 57.1 | -162.1 | 0 | 0 | 112.1 | A85 N86 V87 R92 T93 | A85-E89 PolarHBondContact O-N 2.78Å; N86-E89 PolarHBondContact O-N 3.35Å; V87-E89 PolarHBondContact O-N 2.98Å; E89-R92 PolarHBondContact O-N 2.99Å; E89-R92 IonicContact OE1-CZ 3.85Å; E89-R92 IonicContact OE1-NH1 2.79Å; E89-R92 PolarHBondContact OE1-NH1 3.42Å; E89-R92 IonicContact OE2-CZ 3.85Å; E89-R92 IonicContact OE2-NH1 2.82Å; E89-R92 PolarHBondContact OE2-NH1 2.91Å; E89-T93 WeakPolarHBondContact O-CB 3.07Å; E89-T93 PolarHBondContact O-N 3.38Å; E89-T93 PolarHBondContact O-OG1 2.77Å |
| 90 | R | 98.6 | Very high | 97.9 | Very high | 195 Ų | 195 | 100 Ų | 100 | 74% | 0.736 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.5 | -46.6 | 172.9 | -168 | -177.7 | -147.1 | -114.4 | 5 | 111.5 | N86 V87 R88 T93 Q94 | N86-R90 WeakPolarHBondContact O-CB 3.31Å; N86-R90 PolarHBondContact O-N 2.73Å; V87-R90 WeakPolarHBondContact O-CB 3.13Å; V87-R90 PolarHBondContact O-N 3.35Å; R88-R90 VanDerWaalsContact C-N 3.33Å; R88-R90 PolarHBondContact O-N 3.08Å; R90-T93 PolarHBondContact O-N 3.3Å; R90-Q94 WeakPolarHBondContact O-CB 3.37Å; R90-Q94 PolarHBondContact O-N 3.42Å |
| 91 | Q | 98.6 | Very high | 97.9 | Very high | 118 Ų | 118 | 97.8 Ų | 97.8 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 176.9 | -72.8 | 175.2 | -6.6 | 0 | 0 | 111.8 | V87 R88 T93 Q94 S95 | V87-Q91 WeakPolarHBondContact O-CG 3.46Å; V87-Q91 PolarHBondContact O-N 2.95Å; R88-Q91 PolarHBondContact O-N 3.3Å; Q91-T93 VanDerWaalsContact C-N 3.32Å; Q91-T93 PolarHBondContact O-N 3.2Å; Q91-Q94 WeakPolarHBondContact O-CB 3.31Å; Q91-Q94 PolarHBondContact O-N 2.86Å; Q91-S95 PolarHBondContact O-N 3.17Å |
| 92 | R | 98.5 | Very high | 98 | Very high | 165 Ų | 165 | 95.3 Ų | 95.3 | 62% | 0.623 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.3 | -46.2 | 174.6 | 177.3 | 179.5 | 159.5 | -116 | -7.2 | 111.5 | R88 E89 S95 L96 | R88-R92 PolarHBondContact O-N 3.12Å; E89-R92 PolarHBondContact O-N 2.99Å; E89-R92 IonicContact OE1-CZ 3.85Å; E89-R92 IonicContact OE1-NH1 2.79Å; E89-R92 PolarHBondContact OE1-NH1 3.42Å; E89-R92 IonicContact OE2-CZ 3.85Å; E89-R92 IonicContact OE2-NH1 2.82Å; E89-R92 PolarHBondContact OE2-NH1 2.91Å; R92-S95 PolarHBondContact O-N 3.29Å; R92-L96 PolarHBondContact O-N 2.76Å |
| 93 | T | 98.5 | Very high | 97.9 | Very high | 58 Ų | 58 | 91 Ų | 91 | 36% | 0.356 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 178.7 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | E89 R90 Q91 L96 N97 | E89-T93 WeakPolarHBondContact O-CB 3.07Å; E89-T93 PolarHBondContact O-N 3.38Å; E89-T93 PolarHBondContact O-OG1 2.77Å; R90-T93 PolarHBondContact O-N 3.3Å; Q91-T93 VanDerWaalsContact C-N 3.32Å; Q91-T93 PolarHBondContact O-N 3.2Å; T93-L96 PolarHBondContact O-N 3.05Å; T93-N97 VanDerWaalsContact O-CG 3.3Å; T93-N97 PolarHBondContact O-N 3Å; T93-N97 PolarHBondContact O-ND2 3.23Å |
| 94 | Q | 98.5 | Very high | 97.8 | Very high | 99 Ų | 99 | 90.9 Ų | 90.9 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.1 | -50 | 175.6 | 179.4 | 179.6 | -10.2 | 0 | 0 | 111 | R90 Q91 L96 N97 E98 | R90-Q94 WeakPolarHBondContact O-CB 3.37Å; R90-Q94 PolarHBondContact O-N 3.42Å; Q91-Q94 WeakPolarHBondContact O-CB 3.31Å; Q91-Q94 PolarHBondContact O-N 2.86Å; Q94-L96 VanDerWaalsContact C-N 3.28Å; Q94-L96 PolarHBondContact O-N 2.94Å; Q94-N97 WeakPolarHBondContact O-CA 3.39Å; Q94-N97 WeakPolarHBondContact O-CB 3.31Å; Q94-N97 PolarHBondContact O-N 3.28Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.5Å; Q94-E98 PolarHBondContact NE2-OE1 3.21Å; Q94-E98 WeakPolarHBondContact O-CG 3.02Å; Q94-E98 PolarHBondContact O-N 3.01Å |
| 95 | S | 98.5 | Very high | 97.6 | Very high | 76 Ų | 76 | 93.5 Ų | 93.5 | 53% | 0.531 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -56.8 | -41.4 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 112.1 | Q91 R92 N97 E98 A99 | Q91-S95 PolarHBondContact O-N 3.17Å; R92-S95 PolarHBondContact O-N 3.29Å; S95-N97 PolarHBondContact O-N 2.99Å; S95-E98 PolarHBondContact O-N 3.02Å; S95-A99 PolarHBondContact O-N 2.89Å |
| 96 | L | 98.1 | Very high | 97.4 | Very high | 80 Ų | 80 | 96.5 Ų | 96.5 | 42% | 0.419 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 173.8 | -179.4 | 152.7 | 0 | 0 | 0 | 112.2 | R92 T93 Q94 E98 A99 F100 | R92-L96 PolarHBondContact O-N 2.76Å; T93-L96 PolarHBondContact O-N 3.05Å; Q94-L96 VanDerWaalsContact C-N 3.28Å; Q94-L96 PolarHBondContact O-N 2.94Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-A99 PolarHBondContact O-N 3.43Å; L96-F100 HydrophobicContact CD2-CD2 3.67Å; L96-F100 HydrophobicContact CD2-CE2 3.94Å; L96-F100 HydrophobicContact CG-CD2 4.35Å; L96-F100 PolarHBondContact O-N 3.33Å |
| 97 | N | 97.9 | Very high | 97.1 | Very high | 66 Ų | 66 | 91.4 Ų | 91.4 | 35% | 0.353 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.3 | -34.2 | 179.5 | -70.2 | -28.6 | 0 | 0 | 0 | 111.9 | T93 Q94 S95 F100 A101 K117 | T93-N97 VanDerWaalsContact O-CG 3.3Å; T93-N97 PolarHBondContact O-N 3Å; T93-N97 PolarHBondContact O-ND2 3.23Å; Q94-N97 WeakPolarHBondContact O-CA 3.39Å; Q94-N97 WeakPolarHBondContact O-CB 3.31Å; Q94-N97 PolarHBondContact O-N 3.28Å; S95-N97 PolarHBondContact O-N 2.99Å; N97-F100 WeakPolarHBondContact O-CB 3.28Å; N97-F100 PolarHBondContact O-N 2.91Å; N97-A101 WeakPolarHBondContact O-CB 3.25Å; N97-A101 PolarHBondContact O-N 2.96Å; N97-K117 WeakPolarHBondContact OD1-CE 3.46Å; N97-K117 PolarHBondContact OD1-NZ 3.25Å |
| 98 | E | 98.1 | Very high | 96.6 | Very high | 104 Ų | 104 | 90.8 Ų | 90.8 | 49% | 0.486 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 173.4 | -72.1 | 170 | -173.1 | 0 | 0 | 111.8 | Q94 S95 L96 A101 S102 | Q94-E98 WeakPolarHBondContact CG-OE1 3.5Å; Q94-E98 PolarHBondContact NE2-OE1 3.21Å; Q94-E98 WeakPolarHBondContact O-CG 3.02Å; Q94-E98 PolarHBondContact O-N 3.01Å; S95-E98 PolarHBondContact O-N 3.02Å; L96-E98 VanDerWaalsContact C-N 3.34Å; E98-A101 PolarHBondContact O-N 3.39Å; E98-S102 PolarHBondContact O-N 2.72Å; E98-S102 PolarHBondContact O-OG 3.29Å |
| 99 | A | 97.9 | Very high | 95.9 | Very high | 62 Ų | 62 | 84.6 Ų | 84.6 | 51% | 0.512 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | S95 L96 A101 S102 L103 | S95-A99 PolarHBondContact O-N 2.89Å; L96-A99 PolarHBondContact O-N 3.43Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 3.33Å; A99-S102 PolarHBondContact O-N 3.26Å; A99-L103 PolarHBondContact O-N 3.27Å |
| 100 | F | 97.6 | Very high | 95.1 | Very high | 36 Ų | 36 | 84.1 Ų | 84.1 | 16% | 0.158 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 174 | -102.8 | -81.6 | 0 | 0 | 0 | 112.9 | L96 N97 R104 K117 T120 L121 | L96-F100 HydrophobicContact CD2-CD2 3.67Å; L96-F100 HydrophobicContact CD2-CE2 3.94Å; L96-F100 HydrophobicContact CG-CD2 4.35Å; L96-F100 PolarHBondContact O-N 3.33Å; N97-F100 WeakPolarHBondContact O-CB 3.28Å; N97-F100 PolarHBondContact O-N 2.91Å; F100-R104 WeakPolarHBondContact O-CG 3.33Å; F100-R104 PolarHBondContact O-N 2.96Å; F100-R104 VanDerWaalsContact O-N 3.13Å; F100-R104 PolarHBondContact O-NH1 3.09Å; F100-K117 HydrophobicContact CD1-CB 4.47Å; F100-K117 HydrophobicContact CD1-CG 4.22Å; F100-K117 HydrophobicContact CE1-CB 3.84Å; F100-K117 HydrophobicContact CE1-CG 4.02Å; F100-K117 HydrophobicContact CE2-CD 4.41Å; F100-K117 HydrophobicContact CZ-CB 4.08Å; F100-K117 HydrophobicContact CZ-CD 4.38Å; F100-K117 HydrophobicContact CZ-CG 4.23Å; F100-T120 HydrophobicContact CD1-CG2 4.11Å; F100-T120 HydrophobicContact CE1-CG2 4.41Å; F100-L121 HydrophobicContact CE1-CD2 4.07Å; F100-L121 HydrophobicContact CE1-CG 4.04Å; F100-L121 HydrophobicContact CZ-CD1 4.21Å; F100-L121 HydrophobicContact CZ-CD2 4.01Å; F100-L121 HydrophobicContact CZ-CG 4.1Å |
| 101 | A | 95.5 | Very high | 93.9 | Very high | 42 Ų | 42 | 81.6 Ų | 81.6 | 35% | 0.347 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N97 E98 A99 R104 K105 | N97-A101 WeakPolarHBondContact O-CB 3.25Å; N97-A101 PolarHBondContact O-N 2.96Å; E98-A101 PolarHBondContact O-N 3.39Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 3.33Å; A101-R104 PolarHBondContact O-N 3.28Å; A101-K105 PolarHBondContact O-N 2.96Å |
| 102 | S | 96.6 | Very high | 92.9 | Very high | 67 Ų | 67 | 81 Ų | 81 | 47% | 0.469 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.5 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | E98 A99 R104 K105 | E98-S102 PolarHBondContact O-N 2.72Å; E98-S102 PolarHBondContact O-OG 3.29Å; A99-S102 PolarHBondContact O-N 3.26Å; S102-R104 VanDerWaalsContact C-N 3.33Å; S102-R104 PolarHBondContact O-N 3.3Å; S102-K105 WeakPolarHBondContact O-CB 3.47Å; S102-K105 PolarHBondContact O-N 3.42Å |
| 103 | L | 96.5 | Very high | 92.1 | Very high | 49 Ų | 49 | 76.2 Ų | 76.2 | 26% | 0.257 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 173 | 179 | 58.5 | 0 | 0 | 0 | 111.8 | A99 K105 I106 I107 T120 L121 A124 | A99-L103 PolarHBondContact O-N 3.27Å; L103-K105 VanDerWaalsContact C-N 3.26Å; L103-K105 PolarHBondContact O-N 3.05Å; L103-I106 HydrophobicContact CD1-CD1 4.03Å; L103-I106 HydrophobicContact CD1-CG1 4.19Å; L103-I106 WeakPolarHBondContact O-CG1 3.41Å; L103-I106 PolarHBondContact O-N 3.32Å; L103-I107 HydrophobicContact CG-CD1 4.21Å; L103-I107 WeakPolarHBondContact O-CG1 3.2Å; L103-I107 PolarHBondContact O-N 3.48Å; L103-T120 HydrophobicContact CB-CG2 4.49Å; L103-T120 HydrophobicContact CD2-CG2 3.83Å; L103-T120 HydrophobicContact CG-CG2 3.95Å; L103-L121 HydrophobicContact CD2-CD2 4.48Å; L103-A124 HydrophobicContact CD1-CB 4.02Å; L103-A124 HydrophobicContact CD2-CB 4.22Å; L103-A124 HydrophobicContact CG-CB 4.43Å |
| 104 | R | 95.3 | Very high | 91.5 | Very high | 71 Ų | 71 | 83 Ų | 83 | 27% | 0.268 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.7 | -33.9 | 178.1 | -72.8 | -177.2 | -167.8 | 92.5 | -8.8 | 113.3 | F100 A101 S102 I106 I107 L115 T120 | F100-R104 WeakPolarHBondContact O-CG 3.33Å; F100-R104 PolarHBondContact O-N 2.96Å; F100-R104 VanDerWaalsContact O-N 3.13Å; F100-R104 PolarHBondContact O-NH1 3.09Å; A101-R104 PolarHBondContact O-N 3.28Å; S102-R104 VanDerWaalsContact C-N 3.33Å; S102-R104 PolarHBondContact O-N 3.3Å; R104-I106 PolarHBondContact O-N 3.49Å; R104-I107 PolarHBondContact O-N 2.86Å; R104-L115 HydrophobicContact CG-CD1 4.46Å; R104-L115 PolarHBondContact NE-O 3.3Å; R104-L115 VanDerWaalsContact NE-O 3.08Å; R104-L115 PolarHBondContact NH2-O 2.92Å; R104-L115 VanDerWaalsContact NH2-O 3.14Å; R104-T120 HydrophobicContact CG-CG2 3.66Å; R104-T120 PolarHBondContact NE-OG1 2.77Å |
| 105 | K | 93.2 | Very high | 91 | Very high | 173 Ų | 173 | 79.6 Ų | 79.6 | 75% | 0.752 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.8 | -28.3 | -178.9 | -67.1 | 174.9 | -176.5 | 177.6 | 0 | 113.3 | A101 S102 L103 | A101-K105 PolarHBondContact O-N 2.96Å; S102-K105 WeakPolarHBondContact O-CB 3.47Å; S102-K105 PolarHBondContact O-N 3.42Å; L103-K105 VanDerWaalsContact C-N 3.26Å; L103-K105 PolarHBondContact O-N 3.05Å |
| 106 | I | 93.4 | Very high | 90.9 | Very high | 113 Ų | 113 | 78.4 Ų | 78.4 | 58% | 0.579 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -96 | -9.4 | -178.5 | 63.6 | 162.8 | 0 | 0 | 0 | 113 | L103 R104 Y127 | L103-I106 HydrophobicContact CD1-CD1 4.03Å; L103-I106 HydrophobicContact CD1-CG1 4.19Å; L103-I106 WeakPolarHBondContact O-CG1 3.41Å; L103-I106 PolarHBondContact O-N 3.32Å; R104-I106 PolarHBondContact O-N 3.49Å; I106-Y127 WeakPolarHBondContact O-CE1 3.47Å |
| 107 | I | 92.1 | Very high | 90.7 | Very high | 7 Ų | 7 | 79 Ų | 79 | 4% | 0.036 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -79.9 | 128.8 | 174.6 | -64.3 | 171.4 | 0 | 0 | 0 | 107.7 | L103 R104 T109 T120 L123 A124 | L103-I107 HydrophobicContact CG-CD1 4.21Å; L103-I107 WeakPolarHBondContact O-CG1 3.2Å; L103-I107 PolarHBondContact O-N 3.48Å; R104-I107 PolarHBondContact O-N 2.86Å; I107-T109 HydrophobicContact CG2-CG2 3.79Å; I107-T109 PolarHBondContact O-N 3.02Å; I107-T120 HydrophobicContact CD1-CG2 3.64Å; I107-T120 WeakPolarHBondContact CD1-O 3.3Å; I107-L123 HydrophobicContact CD1-CB 4.29Å; I107-L123 HydrophobicContact CG2-CB 3.73Å; I107-L123 HydrophobicContact CG2-CD2 3.67Å; I107-L123 HydrophobicContact CG2-CG 4.36Å; I107-A124 HydrophobicContact CD1-CB 4.07Å; I107-A124 HydrophobicContact CG1-CB 4.44Å |
| 108 | P | 87.8 | Confident | 90.6 | Very high | 57 Ų | 57 | 80.7 Ų | 80.7 | 37% | 0.37 | 44% | 0.441 | S | S | . | . | trans | -69.7 | 98.2 | 177.8 | 26.6 | -32.3 | 0 | 0 | 0 | 110.9 | Y127 F159 | P108-Y127 HydrophobicContact CG-CD2 3.83Å; P108-Y127 HydrophobicContact CG-CE2 3.81Å; P108-Y127 HydrophobicContact CG-CG 4.28Å; P108-F159 HydrophobicContact CG-CZ 4.21Å | ||
| 109 | T | 83.7 | Confident | 90.2 | Very high | 53 Ų | 53 | 78.3 Ų | 78.3 | 33% | 0.325 | 43% | 0.43 | S | S | . | . | trans | -136.1 | 169.6 | 175.7 | 61.5 | 0 | 0 | 0 | 0 | 112.2 | I107 L115 L123 | I107-T109 HydrophobicContact CG2-CG2 3.79Å; I107-T109 PolarHBondContact O-N 3.02Å; T109-L115 HydrophobicContact CG2-CD1 3.74Å; T109-L115 HydrophobicContact CG2-CD2 4.46Å; T109-L123 HydrophobicContact CG2-CD2 3.73Å | ||
| 110 | L | 83.1 | Confident | 90.1 | Very high | 75 Ų | 75 | 75.4 Ų | 75.4 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | trans | -71.9 | 150.6 | 172.7 | -60.4 | 175.7 | 0 | 0 | 0 | 110.6 | S112 D113 | L110-S112 PolarHBondContact O-N 3.08Å; L110-S112 VanDerWaalsContact O-N 3.08Å; L110-D113 WeakPolarHBondContact CB-OD2 3.45Å; L110-D113 PolarHBondContact N-OD2 3.13Å; L110-D113 WeakPolarHBondContact O-CB 3.4Å; L110-D113 PolarHBondContact O-N 3.02Å | ||
| 111 | P | 72.4 | Confident | 90 | Very high | 142 Ų | 142 | 77.6 Ų | 77.6 | 92% | 0.922 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.5 | 179.2 | -24.3 | 33.1 | 0 | 0 | 0 | 114.3 | ||
| 112 | S | 78.1 | Confident | 89.8 | Confident | 107 Ų | 107 | 80.4 Ų | 80.4 | 75% | 0.748 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -6.4 | 179.8 | -172.6 | 0 | 0 | 0 | 0 | 113.8 | L110 K114 | L110-S112 PolarHBondContact O-N 3.08Å; L110-S112 VanDerWaalsContact O-N 3.08Å; S112-K114 PolarHBondContact O-N 3.24Å |
| 113 | D | 82.4 | Confident | 89.5 | Confident | 63 Ų | 63 | 77.6 Ų | 77.6 | 34% | 0.337 | 40% | 0.403 | S | S | . | . | trans | -74.4 | 115 | -171.9 | -70.6 | -19.5 | 0 | 0 | 0 | 111.3 | L110 L115 | L110-D113 WeakPolarHBondContact CB-OD2 3.45Å; L110-D113 PolarHBondContact N-OD2 3.13Å; L110-D113 WeakPolarHBondContact O-CB 3.4Å; L110-D113 PolarHBondContact O-N 3.02Å; D113-L115 HydrophobicContact CB-CD2 4.45Å; D113-L115 PolarHBondContact O-N 3.48Å | ||
| 114 | K | 85.8 | Confident | 89.4 | Confident | 202 Ų | 202 | 76 Ų | 76 | 88% | 0.878 | 40% | 0.396 | S | S | * | . | trans | -88.3 | 98.7 | 173.8 | -67.2 | -174.1 | -178.5 | 178.3 | 0 | 110.1 | S112 | S112-K114 PolarHBondContact O-N 3.24Š| ||
| 115 | L | 88.1 | Confident | 89.3 | Confident | 26 Ų | 26 | 75.9 Ų | 75.9 | 14% | 0.136 | 41% | 0.406 | C | S | . | . | trans | -90.6 | 124.6 | -179.4 | -56 | 175.9 | 0 | 0 | 0 | 113.1 | R104 T109 D113 | R104-L115 HydrophobicContact CG-CD1 4.46Å; R104-L115 PolarHBondContact NE-O 3.3Å; R104-L115 VanDerWaalsContact NE-O 3.08Å; R104-L115 PolarHBondContact NH2-O 2.92Å; R104-L115 VanDerWaalsContact NH2-O 3.14Å; T109-L115 HydrophobicContact CG2-CD1 3.74Å; T109-L115 HydrophobicContact CG2-CD2 4.46Å; D113-L115 HydrophobicContact CB-CD2 4.45Å; D113-L115 PolarHBondContact O-N 3.48Å | ||
| 116 | S | 94.7 | Very high | 89 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 36% | 0.357 | 39% | 0.39 | S | S | . | . | trans | -65.4 | 165.4 | 167.3 | 68.6 | 0 | 0 | 0 | 0 | 112.1 | I118 Q119 T120 | S116-I118 VanDerWaalsContact C-N 3.32Å; S116-I118 PolarHBondContact O-N 3.43Å; S116-I118 WeakPolarHBondContact OG-CG2 3.41Å; S116-Q119 PolarHBondContact O-N 3.21Å; S116-Q119 WeakPolarHBondContact OG-CB 3.39Å; S116-Q119 VanDerWaalsContact OG-CG 3.25Å; S116-Q119 WeakPolarHBondContact OG-CG 3.09Å; S116-Q119 PolarHBondContact OG-N 3.13Å; S116-Q119 PolarHBondContact OG-OE1 3.24Å; S116-T120 WeakPolarHBondContact O-CB 3.41Å; S116-T120 PolarHBondContact O-N 3.2Å; S116-T120 PolarHBondContact O-OG1 3.24Å | ||
| 117 | K | 95.1 | Very high | 89 | Confident | 94 Ų | 94 | 70.7 Ų | 70.7 | 41% | 0.409 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 178.9 | -69.2 | -173.3 | 177.5 | -173.6 | 0 | 111.8 | N97 F100 T120 L121 | N97-K117 WeakPolarHBondContact OD1-CE 3.46Å; N97-K117 PolarHBondContact OD1-NZ 3.25Å; F100-K117 HydrophobicContact CD1-CB 4.47Å; F100-K117 HydrophobicContact CD1-CG 4.22Å; F100-K117 HydrophobicContact CE1-CB 3.84Å; F100-K117 HydrophobicContact CE1-CG 4.02Å; F100-K117 HydrophobicContact CE2-CD 4.41Å; F100-K117 HydrophobicContact CZ-CB 4.08Å; F100-K117 HydrophobicContact CZ-CD 4.38Å; F100-K117 HydrophobicContact CZ-CG 4.23Å; K117-T120 PolarHBondContact O-N 2.93Å; K117-L121 WeakPolarHBondContact O-CG 3.33Å; K117-L121 PolarHBondContact O-N 3.11Å; K117-L121 VanDerWaalsContact O-N 3.11Å |
| 118 | I | 95.2 | Very high | 89.1 | Confident | 101 Ų | 101 | 75.2 Ų | 75.2 | 52% | 0.518 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 179.8 | -173.9 | 59.9 | 0 | 0 | 0 | 112.2 | S116 L121 K122 | S116-I118 VanDerWaalsContact C-N 3.32Å; S116-I118 PolarHBondContact O-N 3.43Å; S116-I118 WeakPolarHBondContact OG-CG2 3.41Å; I118-L121 PolarHBondContact O-N 3.41Å; I118-K122 HydrophobicContact CG1-CD 4.37Å; I118-K122 WeakPolarHBondContact O-CG 3.4Å; I118-K122 PolarHBondContact O-N 3.4Å |
| 119 | Q | 90.9 | Very high | 89 | Confident | 54 Ų | 54 | 77 Ų | 77 | 25% | 0.252 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 175.9 | -72.5 | 168.7 | -49.8 | 0 | 0 | 110.4 | S116 L121 K122 L123 W168 | S116-Q119 PolarHBondContact O-N 3.21Å; S116-Q119 WeakPolarHBondContact OG-CB 3.39Å; S116-Q119 VanDerWaalsContact OG-CG 3.25Å; S116-Q119 WeakPolarHBondContact OG-CG 3.09Å; S116-Q119 PolarHBondContact OG-N 3.13Å; S116-Q119 PolarHBondContact OG-OE1 3.24Å; Q119-L121 VanDerWaalsContact C-N 3.29Å; Q119-L121 PolarHBondContact O-N 3.29Å; Q119-K122 PolarHBondContact O-N 3.38Å; Q119-K122 VanDerWaalsContact O-N 3.13Å; Q119-L123 HydrophobicContact CB-CD1 4.19Å; Q119-L123 WeakPolarHBondContact O-CD1 3.43Å; Q119-L123 PolarHBondContact O-N 3.08Å; Q119-W168 HydrophobicContact CB-CZ3 4.5Å; Q119-W168 HydrophobicContact CG-CE3 4.39Å; Q119-W168 HydrophobicContact CG-CH2 4.25Å; Q119-W168 HydrophobicContact CG-CZ3 3.72Å |
| 120 | T | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -53.1 | -47.4 | 177.7 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | F100 L103 R104 I107 S116 K117 A124 | F100-T120 HydrophobicContact CD1-CG2 4.11Å; F100-T120 HydrophobicContact CE1-CG2 4.41Å; L103-T120 HydrophobicContact CB-CG2 4.49Å; L103-T120 HydrophobicContact CD2-CG2 3.83Å; L103-T120 HydrophobicContact CG-CG2 3.95Å; R104-T120 HydrophobicContact CG-CG2 3.66Å; R104-T120 PolarHBondContact NE-OG1 2.77Å; I107-T120 HydrophobicContact CD1-CG2 3.64Å; I107-T120 WeakPolarHBondContact CD1-O 3.3Å; S116-T120 WeakPolarHBondContact O-CB 3.41Å; S116-T120 PolarHBondContact O-N 3.2Å; S116-T120 PolarHBondContact O-OG1 3.24Å; K117-T120 PolarHBondContact O-N 2.93Å; T120-A124 VanDerWaalsContact O-CB 3.3Å; T120-A124 WeakPolarHBondContact O-CB 3.01Å; T120-A124 PolarHBondContact O-N 3.39Å |
| 121 | L | 96.5 | Very high | 89.2 | Confident | 83 Ų | 83 | 76.2 Ų | 76.2 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 178.3 | -65.9 | 176.1 | 0 | 0 | 0 | 112.3 | F100 L103 K117 I118 Q119 L123 A124 S125 | F100-L121 HydrophobicContact CE1-CD2 4.07Å; F100-L121 HydrophobicContact CE1-CG 4.04Å; F100-L121 HydrophobicContact CZ-CD1 4.21Å; F100-L121 HydrophobicContact CZ-CD2 4.01Å; F100-L121 HydrophobicContact CZ-CG 4.1Å; L103-L121 HydrophobicContact CD2-CD2 4.48Å; K117-L121 WeakPolarHBondContact O-CG 3.33Å; K117-L121 PolarHBondContact O-N 3.11Å; K117-L121 VanDerWaalsContact O-N 3.11Å; I118-L121 PolarHBondContact O-N 3.41Å; Q119-L121 VanDerWaalsContact C-N 3.29Å; Q119-L121 PolarHBondContact O-N 3.29Å; L121-L123 PolarHBondContact O-N 2.93Å; L121-A124 PolarHBondContact O-N 3.14Å; L121-S125 PolarHBondContact O-N 2.79Å; L121-S125 PolarHBondContact O-OG 3.32Å |
| 122 | K | 90.2 | Very high | 90 | Very high | 101 Ų | 101 | 72.2 Ų | 72.2 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 178.8 | -74.6 | -178.8 | 175.5 | -176.2 | 0 | 112.3 | I118 Q119 R126 | I118-K122 HydrophobicContact CG1-CD 4.37Å; I118-K122 WeakPolarHBondContact O-CG 3.4Å; I118-K122 PolarHBondContact O-N 3.4Å; Q119-K122 PolarHBondContact O-N 3.38Å; Q119-K122 VanDerWaalsContact O-N 3.13Å; K122-R126 WeakPolarHBondContact O-CG 3.25Å; K122-R126 PolarHBondContact O-N 3.02Å |
| 123 | L | 90.8 | Very high | 90.2 | Very high | 8 Ų | 8 | 73 Ų | 73 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 177.1 | -84.3 | 92.1 | 0 | 0 | 0 | 111.1 | I107 T109 Q119 L121 S125 R126 Y127 F159 W162 | I107-L123 HydrophobicContact CD1-CB 4.29Å; I107-L123 HydrophobicContact CG2-CB 3.73Å; I107-L123 HydrophobicContact CG2-CD2 3.67Å; I107-L123 HydrophobicContact CG2-CG 4.36Å; T109-L123 HydrophobicContact CG2-CD2 3.73Å; Q119-L123 HydrophobicContact CB-CD1 4.19Å; Q119-L123 WeakPolarHBondContact O-CD1 3.43Å; Q119-L123 PolarHBondContact O-N 3.08Å; L121-L123 PolarHBondContact O-N 2.93Å; L123-S125 PolarHBondContact O-N 2.96Å; L123-R126 PolarHBondContact O-N 3.3Å; L123-Y127 WeakPolarHBondContact O-CB 3.48Å; L123-Y127 PolarHBondContact O-N 3.04Å; L123-F159 HydrophobicContact CD2-CE1 4.43Å; L123-W162 HydrophobicContact CD1-CH2 3.67Å; L123-W162 HydrophobicContact CD1-CZ3 4.14Å; L123-W162 HydrophobicContact CD2-CH2 4.46Å; L123-W162 HydrophobicContact CD2-CZ3 4.13Å; L123-W162 HydrophobicContact CG-CH2 3.96Å; L123-W162 HydrophobicContact CG-CZ3 4.09Å |
| 124 | A | 95.2 | Very high | 90.1 | Very high | 14 Ų | 14 | 72.2 Ų | 72.2 | 12% | 0.116 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59 | -47.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L103 I107 T120 L121 R126 Y127 I128 | L103-A124 HydrophobicContact CD1-CB 4.02Å; L103-A124 HydrophobicContact CD2-CB 4.22Å; L103-A124 HydrophobicContact CG-CB 4.43Å; I107-A124 HydrophobicContact CD1-CB 4.07Å; I107-A124 HydrophobicContact CG1-CB 4.44Å; T120-A124 VanDerWaalsContact O-CB 3.3Å; T120-A124 WeakPolarHBondContact O-CB 3.01Å; T120-A124 PolarHBondContact O-N 3.39Å; L121-A124 PolarHBondContact O-N 3.14Å; A124-R126 PolarHBondContact O-N 3.34Å; A124-Y127 PolarHBondContact O-N 3.38Å; A124-I128 WeakPolarHBondContact O-CG1 3.47Å; A124-I128 PolarHBondContact O-N 2.97Å |
| 125 | S | 93 | Very high | 90 | Very high | 69 Ų | 69 | 68.5 Ų | 68.5 | 48% | 0.483 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.3 | -48 | 177.5 | -63.1 | 0 | 0 | 0 | 0 | 112 | L121 L123 Y127 I128 D129 | L121-S125 PolarHBondContact O-N 2.79Å; L121-S125 PolarHBondContact O-OG 3.32Å; L123-S125 PolarHBondContact O-N 2.96Å; S125-Y127 VanDerWaalsContact C-N 3.31Å; S125-Y127 PolarHBondContact O-N 3.24Å; S125-I128 WeakPolarHBondContact O-CB 3.42Å; S125-I128 PolarHBondContact O-N 3.33Å; S125-D129 PolarHBondContact O-N 2.97Å |
| 126 | R | 87.2 | Confident | 89.6 | Confident | 110 Ų | 110 | 73.2 Ų | 73.2 | 42% | 0.415 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.8 | -34.8 | 178.9 | -66 | 179.9 | -161.4 | 164.3 | -0.8 | 112.9 | K122 L123 A124 I128 D129 F130 | K122-R126 WeakPolarHBondContact O-CG 3.25Å; K122-R126 PolarHBondContact O-N 3.02Å; L123-R126 PolarHBondContact O-N 3.3Å; A124-R126 PolarHBondContact O-N 3.34Å; R126-I128 VanDerWaalsContact C-N 3.32Å; R126-D129 PolarHBondContact O-N 3.43Å; R126-F130 VanDerWaalsContact O-CB 3.28Å; R126-F130 WeakPolarHBondContact O-CB 3.39Å; R126-F130 PolarHBondContact O-N 3.48Å |
| 127 | Y | 93.1 | Very high | 88.3 | Confident | 68 Ų | 68 | 73.4 Ų | 73.4 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 177.3 | -174.3 | -132.4 | 0 | 0 | 0 | 111 | I106 P108 L123 A124 S125 F130 L131 | I106-Y127 WeakPolarHBondContact O-CE1 3.47Å; P108-Y127 HydrophobicContact CG-CD2 3.83Å; P108-Y127 HydrophobicContact CG-CE2 3.81Å; P108-Y127 HydrophobicContact CG-CG 4.28Å; L123-Y127 WeakPolarHBondContact O-CB 3.48Å; L123-Y127 PolarHBondContact O-N 3.04Å; A124-Y127 PolarHBondContact O-N 3.38Å; S125-Y127 VanDerWaalsContact C-N 3.31Å; S125-Y127 PolarHBondContact O-N 3.24Å; Y127-F130 HydrophobicContact CD2-CD1 4.37Å; Y127-F130 HydrophobicContact CE2-CD1 4.42Å; Y127-F130 PolarHBondContact O-N 2.86Å; Y127-L131 HydrophobicContact CD1-CD1 4.27Å; Y127-L131 HydrophobicContact CD2-CG 4.33Å; Y127-L131 HydrophobicContact CE1-CD1 3.9Å; Y127-L131 HydrophobicContact CE2-CD1 4.18Å; Y127-L131 HydrophobicContact CE2-CD2 4.02Å; Y127-L131 HydrophobicContact CE2-CG 4.01Å; Y127-L131 VanDerWaalsContact O-CG 3.31Å; Y127-L131 WeakPolarHBondContact O-CG 3.39Å; Y127-L131 PolarHBondContact O-N 2.99Å |
| 128 | I | 92.8 | Very high | 86.8 | Confident | 102 Ų | 102 | 73.7 Ų | 73.7 | 52% | 0.523 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.2 | -52.9 | 170.8 | -64.9 | 164.9 | 0 | 0 | 0 | 110.5 | A124 S125 R126 F130 L131 C132 | A124-I128 WeakPolarHBondContact O-CG1 3.47Å; A124-I128 PolarHBondContact O-N 2.97Å; S125-I128 WeakPolarHBondContact O-CB 3.42Å; S125-I128 PolarHBondContact O-N 3.33Å; R126-I128 VanDerWaalsContact C-N 3.32Å; I128-F130 PolarHBondContact O-N 2.9Å; I128-L131 PolarHBondContact O-N 3.46Å; I128-L131 VanDerWaalsContact O-N 3.12Å; I128-C132 PolarHBondContact O-N 3.31Å; I128-C132 PolarHBondContact O-SG 3.18Å |
| 129 | D | 87.4 | Confident | 85.1 | Confident | 94 Ų | 94 | 75.1 Ų | 75.1 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.2 | -36.5 | -179.4 | -64 | -29.5 | 0 | 0 | 0 | 112.3 | S125 R126 Q133 | S125-D129 PolarHBondContact O-N 2.97Å; R126-D129 PolarHBondContact O-N 3.43Å; D129-Q133 WeakPolarHBondContact O-CG 3.48Å; D129-Q133 PolarHBondContact O-N 3.38Å; D129-Q133 VanDerWaalsContact O-N 3.12Å; D129-Q133 PolarHBondContact O-NE2 3.23Å |
| 130 | F | 83.1 | Confident | 83.3 | Confident | 42 Ų | 42 | 78 Ų | 78 | 18% | 0.184 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.7 | -51.1 | 176 | 170 | -95.4 | 0 | 0 | 0 | 111.9 | R126 Y127 I128 C132 Q133 V134 L155 | R126-F130 VanDerWaalsContact O-CB 3.28Å; R126-F130 WeakPolarHBondContact O-CB 3.39Å; R126-F130 PolarHBondContact O-N 3.48Å; Y127-F130 HydrophobicContact CD2-CD1 4.37Å; Y127-F130 HydrophobicContact CE2-CD1 4.42Å; Y127-F130 PolarHBondContact O-N 2.86Å; I128-F130 PolarHBondContact O-N 2.9Å; F130-C132 PolarHBondContact O-N 2.99Å; F130-Q133 WeakPolarHBondContact O-CB 3.5Å; F130-Q133 PolarHBondContact O-N 3.01Å; F130-V134 HydrophobicContact CD1-CG2 4.22Å; F130-V134 HydrophobicContact CD2-CG2 4.35Å; F130-V134 HydrophobicContact CE1-CG2 3.36Å; F130-V134 HydrophobicContact CE2-CG2 3.55Å; F130-V134 HydrophobicContact CZ-CB 4.41Å; F130-V134 HydrophobicContact CZ-CG2 2.97Å; F130-V134 PolarHBondContact O-N 2.83Å; F130-L155 HydrophobicContact CD1-CD1 3.94Å; F130-L155 HydrophobicContact CD1-CD2 4.07Å; F130-L155 HydrophobicContact CD1-CG 4.32Å; F130-L155 HydrophobicContact CD2-CD1 4.28Å; F130-L155 HydrophobicContact CD2-CD2 3.73Å; F130-L155 HydrophobicContact CD2-CG 3.85Å; F130-L155 HydrophobicContact CE1-CD1 3.15Å; F130-L155 HydrophobicContact CE1-CD2 4.08Å; F130-L155 HydrophobicContact CE1-CG 3.84Å; F130-L155 HydrophobicContact CE2-CD1 3.55Å; F130-L155 HydrophobicContact CE2-CD2 3.72Å; F130-L155 HydrophobicContact CE2-CG 3.28Å; F130-L155 HydrophobicContact CG-CD1 4.45Å; F130-L155 HydrophobicContact CG-CD2 3.91Å; F130-L155 HydrophobicContact CG-CG 4.34Å; F130-L155 HydrophobicContact CZ-CD1 2.9Å; F130-L155 HydrophobicContact CZ-CD2 3.89Å; F130-L155 HydrophobicContact CZ-CG 3.26Å |
| 131 | L | 87.3 | Confident | 81.2 | Confident | 70 Ų | 70 | 80.2 Ų | 80.2 | 37% | 0.366 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59 | -38.6 | 178.4 | -68.7 | 174.5 | 0 | 0 | 0 | 110.8 | Y127 I128 Q133 V134 L135 | Y127-L131 HydrophobicContact CD1-CD1 4.27Å; Y127-L131 HydrophobicContact CD2-CG 4.33Å; Y127-L131 HydrophobicContact CE1-CD1 3.9Å; Y127-L131 HydrophobicContact CE2-CD1 4.18Å; Y127-L131 HydrophobicContact CE2-CD2 4.02Å; Y127-L131 HydrophobicContact CE2-CG 4.01Å; Y127-L131 VanDerWaalsContact O-CG 3.31Å; Y127-L131 WeakPolarHBondContact O-CG 3.39Å; Y127-L131 PolarHBondContact O-N 2.99Å; I128-L131 PolarHBondContact O-N 3.46Å; I128-L131 VanDerWaalsContact O-N 3.12Å; L131-Q133 VanDerWaalsContact C-N 3.34Å; L131-Q133 PolarHBondContact O-N 3.31Å; L131-V134 PolarHBondContact O-N 3.41Å; L131-L135 VanDerWaalsContact O-CG 3.26Å; L131-L135 WeakPolarHBondContact O-CG 3.48Å; L131-L135 PolarHBondContact O-N 2.93Å |
| 132 | C | 88.6 | Confident | 79.1 | Confident | 58 Ų | 58 | 80.9 Ų | 80.9 | 39% | 0.392 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 173.2 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | I128 F130 Q136 | I128-C132 PolarHBondContact O-N 3.31Å; I128-C132 PolarHBondContact O-SG 3.18Å; F130-C132 PolarHBondContact O-N 2.99Å; C132-Q136 VanDerWaalsContact O-CG 3.3Å; C132-Q136 WeakPolarHBondContact O-CG 3.37Å; C132-Q136 PolarHBondContact O-N 2.98Å; C132-Q136 VanDerWaalsContact O-N 3.15Å; C132-Q136 PolarHBondContact O-NE2 2.82Å |
| 133 | Q | 81.9 | Confident | 77.2 | Confident | 122 Ų | 122 | 84.4 Ų | 84.4 | 57% | 0.57 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67.8 | -43.2 | 176.4 | -76.9 | 168.2 | 66.9 | 0 | 0 | 112 | D129 F130 L131 L135 Q136 S137 | D129-Q133 WeakPolarHBondContact O-CG 3.48Å; D129-Q133 PolarHBondContact O-N 3.38Å; D129-Q133 VanDerWaalsContact O-N 3.12Å; D129-Q133 PolarHBondContact O-NE2 3.23Å; F130-Q133 WeakPolarHBondContact O-CB 3.5Å; F130-Q133 PolarHBondContact O-N 3.01Å; L131-Q133 VanDerWaalsContact C-N 3.34Å; L131-Q133 PolarHBondContact O-N 3.31Å; Q133-L135 VanDerWaalsContact C-N 3.34Å; Q133-L135 PolarHBondContact O-N 3.41Å; Q133-Q136 PolarHBondContact O-N 2.79Å; Q133-S137 PolarHBondContact O-N 2.98Å; Q133-S137 PolarHBondContact O-OG 3.26Å; Q133-S137 VanDerWaalsContact O-OG 3.06Å |
| 134 | V | 81.5 | Confident | 75.3 | Confident | 48 Ų | 48 | 91.5 Ų | 91.5 | 29% | 0.291 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58 | -48.5 | 177.3 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | F130 L131 Q136 S137 D138 | F130-V134 HydrophobicContact CD1-CG2 4.22Å; F130-V134 HydrophobicContact CD2-CG2 4.35Å; F130-V134 HydrophobicContact CE1-CG2 3.36Å; F130-V134 HydrophobicContact CE2-CG2 3.55Å; F130-V134 HydrophobicContact CZ-CB 4.41Å; F130-V134 HydrophobicContact CZ-CG2 2.97Å; F130-V134 PolarHBondContact O-N 2.83Å; L131-V134 PolarHBondContact O-N 3.41Å; V134-Q136 VanDerWaalsContact C-N 3.31Å; V134-Q136 PolarHBondContact O-N 3.28Å; V134-S137 WeakPolarHBondContact CA-OG 3.45Å; V134-S137 PolarHBondContact O-N 3.31Å; V134-S137 PolarHBondContact O-OG 3.46Å; V134-D138 PolarHBondContact O-N 3.48Å |
| 135 | L | 83.6 | Confident | 73 | Confident | 123 Ų | 123 | 96.1 Ų | 96.1 | 64% | 0.644 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -38.3 | -180 | -67.9 | 171.1 | 0 | 0 | 0 | 111.9 | L131 Q133 D138 E139 | L131-L135 VanDerWaalsContact O-CG 3.26Å; L131-L135 WeakPolarHBondContact O-CG 3.48Å; L131-L135 PolarHBondContact O-N 2.93Å; Q133-L135 VanDerWaalsContact C-N 3.34Å; Q133-L135 PolarHBondContact O-N 3.41Å; L135-D138 PolarHBondContact O-N 2.95Å; L135-E139 PolarHBondContact O-N 2.95Å |
| 136 | Q | 78.7 | Confident | 70.9 | Confident | 125 Ų | 125 | 98 Ų | 98 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.7 | -39.3 | 174.9 | -75.8 | 169.2 | 71.6 | 0 | 0 | 112.5 | C132 Q133 V134 D138 E139 M140 | C132-Q136 VanDerWaalsContact O-CG 3.3Å; C132-Q136 WeakPolarHBondContact O-CG 3.37Å; C132-Q136 PolarHBondContact O-N 2.98Å; C132-Q136 VanDerWaalsContact O-N 3.15Å; C132-Q136 PolarHBondContact O-NE2 2.82Å; Q133-Q136 PolarHBondContact O-N 2.79Å; V134-Q136 VanDerWaalsContact C-N 3.31Å; V134-Q136 PolarHBondContact O-N 3.28Å; Q136-D138 VanDerWaalsContact C-N 3.34Å; Q136-E139 PolarHBondContact O-N 3.37Å; Q136-M140 WeakPolarHBondContact O-CG 3.5Å; Q136-M140 PolarHBondContact O-N 3.33Å |
| 137 | S | 68.4 | Low | 68.7 | Low | 56 Ų | 56 | 95.5 Ų | 95.5 | 39% | 0.392 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67 | -35.2 | 175.7 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | Q133 V134 E139 M140 D141 | Q133-S137 PolarHBondContact O-N 2.98Å; Q133-S137 PolarHBondContact O-OG 3.26Å; Q133-S137 VanDerWaalsContact O-OG 3.06Å; V134-S137 WeakPolarHBondContact CA-OG 3.45Å; V134-S137 PolarHBondContact O-N 3.31Å; V134-S137 PolarHBondContact O-OG 3.46Å; S137-E139 VanDerWaalsContact C-N 3.31Å; S137-E139 PolarHBondContact O-N 3.02Å; S137-M140 CarbonylContact O-C 3.54Å; S137-M140 PolarHBondContact O-N 3.04Å; S137-M140 VanDerWaalsContact O-N 3.11Å; S137-D141 VanDerWaalsContact O-CB 3.31Å; S137-D141 WeakPolarHBondContact O-CB 3.49Å; S137-D141 PolarHBondContact O-N 2.92Å |
| 138 | D | 62.3 | Low | 67 | Low | 99 Ų | 99 | 97 Ų | 97 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 176.4 | -168 | -111.2 | 0 | 0 | 0 | 112.1 | V134 L135 Q136 M140 S142 | V134-D138 PolarHBondContact O-N 3.48Å; L135-D138 PolarHBondContact O-N 2.95Å; Q136-D138 VanDerWaalsContact C-N 3.34Å; D138-M140 VanDerWaalsContact C-N 3.29Å; D138-M140 PolarHBondContact O-N 3.41Å; D138-S142 WeakPolarHBondContact O-CB 3.39Å; D138-S142 PolarHBondContact O-N 2.94Å; D138-S142 PolarHBondContact O-OG 3.39Å |
| 139 | E | 59.7 | Low | 64.8 | Low | 132 Ų | 132 | 99.9 Ų | 99.9 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67 | -29.7 | 174.6 | -141.9 | -155.6 | 122.5 | 0 | 0 | 112.6 | L135 Q136 S137 | L135-E139 PolarHBondContact O-N 2.95Å; Q136-E139 PolarHBondContact O-N 3.37Å; S137-E139 VanDerWaalsContact C-N 3.31Å; S137-E139 PolarHBondContact O-N 3.02Å |
| 140 | M | 53.6 | Low | 63.3 | Low | 113 Ų | 113 | 98.7 Ų | 98.7 | 56% | 0.557 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -87.9 | -33.2 | 178.4 | -61.4 | -62.3 | 107.7 | 0 | 0 | 113.1 | Q136 S137 D138 K143 | Q136-M140 WeakPolarHBondContact O-CG 3.5Å; Q136-M140 PolarHBondContact O-N 3.33Å; S137-M140 CarbonylContact O-C 3.54Å; S137-M140 PolarHBondContact O-N 3.04Å; S137-M140 VanDerWaalsContact O-N 3.11Å; D138-M140 VanDerWaalsContact C-N 3.29Å; D138-M140 PolarHBondContact O-N 3.41Å; M140-K143 PolarHBondContact O-N 3.32Å |
| 141 | D | 49.5 | Very low | 62 | Low | 48 Ų | 48 | 98.1 Ų | 98.1 | 26% | 0.257 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -78.7 | -19 | 178.4 | -139.4 | -107.4 | 0 | 0 | 0 | 111.8 | S137 K143 M144 S145 S146 C147 | S137-D141 VanDerWaalsContact O-CB 3.31Å; S137-D141 WeakPolarHBondContact O-CB 3.49Å; S137-D141 PolarHBondContact O-N 2.92Å; D141-K143 PolarHBondContact O-N 2.93Å; D141-M144 CarbonylContact O-C 3.56Å; D141-M144 PolarHBondContact O-N 3.45Å; D141-S145 PolarHBondContact O-N 2.93Å; D141-S146 PolarHBondContact OD1-N 3.24Å; D141-C147 PolarHBondContact OD1-N 3.16Å; D141-C147 WeakPolarHBondContact OD2-CB 3.49Å |
| 142 | S | 53.4 | Low | 60.5 | Low | 96 Ų | 96 | 100.5 Ų | 100.5 | 67% | 0.671 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -16.1 | 166.1 | -67.5 | 0 | 0 | 0 | 0 | 113.1 | D138 | D138-S142 WeakPolarHBondContact O-CB 3.39Å; D138-S142 PolarHBondContact O-N 2.94Å; D138-S142 PolarHBondContact O-OG 3.39Å |
| 143 | K | 50 | Low | 59.1 | Low | 176 Ų | 176 | 102.7 Ų | 102.7 | 77% | 0.765 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -10.3 | 171.9 | -63.5 | 177.8 | -175.6 | 168.3 | 0 | 113.7 | M140 D141 | M140-K143 PolarHBondContact O-N 3.32Å; D141-K143 PolarHBondContact O-N 2.93Å |
| 144 | M | 50.2 | Low | 58.1 | Low | 157 Ų | 157 | 105.7 Ų | 105.7 | 77% | 0.773 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -159 | 89.1 | 177.7 | -162.9 | 125.4 | 92 | 0 | 0 | 109.7 | D141 S146 | D141-M144 CarbonylContact O-C 3.56Å; D141-M144 PolarHBondContact O-N 3.45Å; M144-S146 PolarHBondContact O-N 2.96Å |
| 145 | S | 47.9 | Very low | 57.1 | Low | 111 Ų | 111 | 104.9 Ų | 104.9 | 78% | 0.776 | 55% | 0.553 | S | S | * | * | trans | -60.8 | 123.7 | -173.5 | 62.9 | 0 | 0 | 0 | 0 | 113 | D141 | D141-S145 PolarHBondContact O-N 2.93Š| ||
| 146 | S | 48.9 | Very low | 56.1 | Low | 107 Ų | 107 | 101.8 Ų | 101.8 | 75% | 0.748 | 54% | 0.542 | S | S | * | . | trans | 152.5 | 55.1 | 136.1 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | D141 M144 | D141-S146 PolarHBondContact OD1-N 3.24Å; M144-S146 PolarHBondContact O-N 2.96Å | ||
| 147 | C | 41.7 | Very low | 55.6 | Low | 59 Ų | 59 | 103.9 Ų | 103.9 | 40% | 0.399 | 55% | 0.546 | S | S | . | . | trans | -131.2 | 14.7 | 174.8 | -152 | 0 | 0 | 0 | 0 | 116.1 | D141 Y149 | D141-C147 PolarHBondContact OD1-N 3.16Å; D141-C147 WeakPolarHBondContact OD2-CB 3.49Å; C147-Y149 PolarHBondContact O-N 3.36Å | ||
| 148 | S | 56.1 | Low | 55.2 | Low | 100 Ų | 100 | 103.8 Ų | 103.8 | 70% | 0.699 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.9 | -33.5 | 175.7 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 149 | Y | 47.8 | Very low | 55.4 | Low | 161 Ų | 161 | 101.3 Ų | 101.3 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73.2 | -36.8 | -178.2 | -168.1 | -97.3 | 0 | 0 | 0 | 112.9 | C147 A151 H152 E153 | C147-Y149 PolarHBondContact O-N 3.36Å; Y149-A151 PolarHBondContact O-N 3.41Å; Y149-H152 PolarHBondContact O-N 3.08Å; Y149-E153 HydrophobicContact CD1-CG 3.94Å; Y149-E153 HydrophobicContact CE1-CG 3.51Å; Y149-E153 PolarHBondContact O-N 3.01Å; Y149-E153 VanDerWaalsContact O-N 3.17Å; Y149-E153 PolarHBondContact OH-OE1 2.89Å |
| 150 | V | 54.2 | Low | 55.7 | Low | 69 Ų | 69 | 97.1 Ų | 97.1 | 42% | 0.418 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.9 | -32.5 | -176.2 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | R154 | V150-R154 HydrophobicContact CG1-CG 4.13Å; V150-R154 VanDerWaalsContact O-CB 3.27Å; V150-R154 WeakPolarHBondContact O-CB 3.44Å; V150-R154 WeakPolarHBondContact O-CG 3.45Å; V150-R154 PolarHBondContact O-N 3.19Å |
| 151 | A | 56.1 | Low | 56.2 | Low | 30 Ų | 30 | 93.9 Ų | 93.9 | 25% | 0.248 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y149 L155 | Y149-A151 PolarHBondContact O-N 3.41Å; A151-L155 VanDerWaalsContact O-CB 3.31Å; A151-L155 WeakPolarHBondContact O-CB 3.4Å; A151-L155 PolarHBondContact O-N 3.19Å |
| 152 | H | 56.3 | Low | 56.7 | Low | 120 Ų | 120 | 95.3 Ų | 95.3 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72.4 | -39.8 | 179.7 | -170.7 | -98 | 0 | 0 | 0 | 113 | Y149 L155 S156 | Y149-H152 PolarHBondContact O-N 3.08Å; H152-L155 VanDerWaalsContact O-CB 3.29Å; H152-L155 WeakPolarHBondContact O-CB 3.43Å; H152-L155 PolarHBondContact O-N 3.44Å; H152-S156 PolarHBondContact O-N 3.16Å; H152-S156 PolarHBondContact O-OG 3.2Å |
| 153 | E | 58.8 | Low | 57.2 | Low | 105 Ų | 105 | 95.9 Ų | 95.9 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -45.7 | 174.6 | -74.3 | -101.3 | 150.9 | 0 | 0 | 111.6 | Y149 L155 S156 Y157 | Y149-E153 HydrophobicContact CD1-CG 3.94Å; Y149-E153 HydrophobicContact CE1-CG 3.51Å; Y149-E153 PolarHBondContact O-N 3.01Å; Y149-E153 VanDerWaalsContact O-N 3.17Å; Y149-E153 PolarHBondContact OH-OE1 2.89Å; E153-L155 PolarHBondContact O-N 2.84Å; E153-S156 PolarHBondContact O-N 3.03Å; E153-Y157 VanDerWaalsContact O-CB 3.23Å; E153-Y157 WeakPolarHBondContact O-CB 3.46Å; E153-Y157 PolarHBondContact O-N 2.97Å |
| 154 | R | 62.2 | Low | 57.4 | Low | 184 Ų | 184 | 94.4 Ų | 94.4 | 69% | 0.694 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.3 | -30.8 | 176.4 | -71.1 | -178 | 74.9 | -168.4 | 3.3 | 112.4 | V150 A158 | V150-R154 HydrophobicContact CG1-CG 4.13Å; V150-R154 VanDerWaalsContact O-CB 3.27Å; V150-R154 WeakPolarHBondContact O-CB 3.44Å; V150-R154 WeakPolarHBondContact O-CG 3.45Å; V150-R154 PolarHBondContact O-N 3.19Å; R154-A158 WeakPolarHBondContact O-CB 3.43Å; R154-A158 PolarHBondContact O-N 3.47Å |
| 155 | L | 59.7 | Low | 57.6 | Low | 31 Ų | 31 | 93.2 Ų | 93.2 | 16% | 0.162 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -67.4 | -54.1 | 173.2 | -111.1 | -176.6 | 0 | 0 | 0 | 112.7 | F130 A151 H152 E153 Y157 A158 F159 | F130-L155 HydrophobicContact CD1-CD1 3.94Å; F130-L155 HydrophobicContact CD1-CD2 4.07Å; F130-L155 HydrophobicContact CD1-CG 4.32Å; F130-L155 HydrophobicContact CD2-CD1 4.28Å; F130-L155 HydrophobicContact CD2-CD2 3.73Å; F130-L155 HydrophobicContact CD2-CG 3.85Å; F130-L155 HydrophobicContact CE1-CD1 3.15Å; F130-L155 HydrophobicContact CE1-CD2 4.08Å; F130-L155 HydrophobicContact CE1-CG 3.84Å; F130-L155 HydrophobicContact CE2-CD1 3.55Å; F130-L155 HydrophobicContact CE2-CD2 3.72Å; F130-L155 HydrophobicContact CE2-CG 3.28Å; F130-L155 HydrophobicContact CG-CD1 4.45Å; F130-L155 HydrophobicContact CG-CD2 3.91Å; F130-L155 HydrophobicContact CG-CG 4.34Å; F130-L155 HydrophobicContact CZ-CD1 2.9Å; F130-L155 HydrophobicContact CZ-CD2 3.89Å; F130-L155 HydrophobicContact CZ-CG 3.26Å; A151-L155 VanDerWaalsContact O-CB 3.31Å; A151-L155 WeakPolarHBondContact O-CB 3.4Å; A151-L155 PolarHBondContact O-N 3.19Å; H152-L155 VanDerWaalsContact O-CB 3.29Å; H152-L155 WeakPolarHBondContact O-CB 3.43Å; H152-L155 PolarHBondContact O-N 3.44Å; E153-L155 PolarHBondContact O-N 2.84Å; L155-Y157 PolarHBondContact O-N 3.44Å; L155-A158 PolarHBondContact O-N 3.21Å; L155-A158 VanDerWaalsContact O-N 3.17Å; L155-F159 HydrophobicContact CD2-CD2 3.45Å; L155-F159 VanDerWaalsContact CD2-CD2 3.45Å; L155-F159 HydrophobicContact CD2-CE2 3.32Å; L155-F159 WeakPolarHBondContact O-CB 3.38Å; L155-F159 WeakPolarHBondContact O-CD2 3.35Å; L155-F159 PolarHBondContact O-N 3.17Å |
| 156 | S | 63.3 | Low | 57.8 | Low | 59 Ų | 59 | 90.2 Ų | 90.2 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.7 | -36.7 | -177.6 | -64.5 | 0 | 0 | 0 | 0 | 109.6 | H152 E153 S160 | H152-S156 PolarHBondContact O-N 3.16Å; H152-S156 PolarHBondContact O-OG 3.2Å; E153-S156 PolarHBondContact O-N 3.03Å; S156-S160 WeakPolarHBondContact O-CB 3.45Å; S156-S160 PolarHBondContact O-N 3.32Å; S156-S160 PolarHBondContact O-OG 2.92Å |
| 157 | Y | 66.7 | Low | 57.7 | Low | 169 Ų | 169 | 89.1 Ų | 89.1 | 66% | 0.663 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.2 | -51.5 | 170.1 | -177 | -105.5 | 0 | 0 | 0 | 112.2 | E153 L155 F159 S160 V161 | E153-Y157 VanDerWaalsContact O-CB 3.23Å; E153-Y157 WeakPolarHBondContact O-CB 3.46Å; E153-Y157 PolarHBondContact O-N 2.97Å; L155-Y157 PolarHBondContact O-N 3.44Å; Y157-F159 PolarHBondContact O-N 3.44Å; Y157-S160 CarbonylContact O-C 3.04Å; Y157-S160 PolarHBondContact O-N 3.39Å; Y157-S160 VanDerWaalsContact O-N 3.08Å; Y157-V161 HydrophobicContact CD1-CG2 4Å; Y157-V161 HydrophobicContact CD2-CG2 3.91Å; Y157-V161 HydrophobicContact CE1-CG2 3.66Å; Y157-V161 HydrophobicContact CE2-CG2 3.55Å; Y157-V161 HydrophobicContact CG-CG2 4.12Å; Y157-V161 VanDerWaalsContact CZ-CG2 3.42Å; Y157-V161 WeakPolarHBondContact O-CB 3.39Å; Y157-V161 VanDerWaalsContact O-CG2 3.31Å; Y157-V161 WeakPolarHBondContact O-CG2 3.46Å; Y157-V161 PolarHBondContact O-N 2.85Å |
| 158 | A | 61 | Low | 58.2 | Low | 53 Ų | 53 | 91.7 Ų | 91.7 | 44% | 0.438 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | R154 L155 S160 W162 | R154-A158 WeakPolarHBondContact O-CB 3.43Å; R154-A158 PolarHBondContact O-N 3.47Å; L155-A158 PolarHBondContact O-N 3.21Å; L155-A158 VanDerWaalsContact O-N 3.17Å; A158-S160 VanDerWaalsContact C-N 3.33Å; A158-W162 WeakPolarHBondContact O-CB 3.34Å; A158-W162 PolarHBondContact O-N 2.98Å |
| 159 | F | 65.6 | Low | 58 | Low | 48 Ų | 48 | 91.2 Ų | 91.2 | 21% | 0.211 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -67.6 | -30.5 | 173.9 | -89.2 | -80.4 | 0 | 0 | 0 | 112.5 | P108 L123 L155 Y157 R163 | P108-F159 HydrophobicContact CG-CZ 4.21Å; L123-F159 HydrophobicContact CD2-CE1 4.43Å; L155-F159 HydrophobicContact CD2-CD2 3.45Å; L155-F159 VanDerWaalsContact CD2-CD2 3.45Å; L155-F159 HydrophobicContact CD2-CE2 3.32Å; L155-F159 WeakPolarHBondContact O-CB 3.38Å; L155-F159 WeakPolarHBondContact O-CD2 3.35Å; L155-F159 PolarHBondContact O-N 3.17Å; Y157-F159 PolarHBondContact O-N 3.44Å; F159-R163 WeakPolarHBondContact O-CB 3.44Å; F159-R163 PolarHBondContact O-N 2.76Å |
| 160 | S | 67.1 | Low | 58 | Low | 43 Ų | 43 | 91.4 Ų | 91.4 | 30% | 0.301 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -78.5 | -43.4 | 175.8 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | S156 Y157 A158 R163 M164 | S156-S160 WeakPolarHBondContact O-CB 3.45Å; S156-S160 PolarHBondContact O-N 3.32Å; S156-S160 PolarHBondContact O-OG 2.92Å; Y157-S160 CarbonylContact O-C 3.04Å; Y157-S160 PolarHBondContact O-N 3.39Å; Y157-S160 VanDerWaalsContact O-N 3.08Å; A158-S160 VanDerWaalsContact C-N 3.33Å; S160-R163 WeakPolarHBondContact O-CB 3.36Å; S160-R163 PolarHBondContact O-N 2.83Å; S160-R163 PolarHBondContact OG-NH2 3.29Å; S160-M164 WeakPolarHBondContact O-CB 3.37Å; S160-M164 VanDerWaalsContact O-CG 3.25Å; S160-M164 WeakPolarHBondContact O-CG 3.41Å; S160-M164 PolarHBondContact O-N 3.1Å |
| 161 | V | 62.9 | Low | 57.5 | Low | 46 Ų | 46 | 93.9 Ų | 93.9 | 28% | 0.279 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 173.3 | 171 | 0 | 0 | 0 | 0 | 109.7 | Y157 R163 M164 E165 | Y157-V161 HydrophobicContact CD1-CG2 4Å; Y157-V161 HydrophobicContact CD2-CG2 3.91Å; Y157-V161 HydrophobicContact CE1-CG2 3.66Å; Y157-V161 HydrophobicContact CE2-CG2 3.55Å; Y157-V161 HydrophobicContact CG-CG2 4.12Å; Y157-V161 VanDerWaalsContact CZ-CG2 3.42Å; Y157-V161 WeakPolarHBondContact O-CB 3.39Å; Y157-V161 VanDerWaalsContact O-CG2 3.31Å; Y157-V161 WeakPolarHBondContact O-CG2 3.46Å; Y157-V161 PolarHBondContact O-N 2.85Å; V161-R163 VanDerWaalsContact C-N 3.27Å; V161-R163 PolarHBondContact O-N 3.02Å; V161-M164 CarbonylContact O-C 3.57Å; V161-M164 PolarHBondContact O-N 2.73Å; V161-E165 WeakPolarHBondContact O-CB 3.47Å; V161-E165 PolarHBondContact O-N 3.04Å |
| 162 | W | 60.8 | Low | 57 | Low | 78 Ų | 78 | 97.3 Ų | 97.3 | 30% | 0.295 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.3 | -27.7 | 177.8 | -178 | 70.8 | 0 | 0 | 0 | 113.9 | L123 A158 W168 | L123-W162 HydrophobicContact CD1-CH2 3.67Å; L123-W162 HydrophobicContact CD1-CZ3 4.14Å; L123-W162 HydrophobicContact CD2-CH2 4.46Å; L123-W162 HydrophobicContact CD2-CZ3 4.13Å; L123-W162 HydrophobicContact CG-CH2 3.96Å; L123-W162 HydrophobicContact CG-CZ3 4.09Å; A158-W162 WeakPolarHBondContact O-CB 3.34Å; A158-W162 PolarHBondContact O-N 2.98Å; W162-W168 HydrophobicContact CH2-CE3 4.44Å; W162-W168 AromaticContact CH2-CH2 3.33Å; W162-W168 HydrophobicContact CH2-CH2 3.33Å; W162-W168 HydrophobicContact CH2-CZ2 4.05Å; W162-W168 AromaticContact CH2-CZ3 3.52Å; W162-W168 HydrophobicContact CH2-CZ3 3.52Å; W162-W168 AromaticContact CZ2-CE2 3.99Å; W162-W168 HydrophobicContact CZ2-CE3 4.3Å; W162-W168 AromaticContact CZ2-CH2 3.08Å; W162-W168 HydrophobicContact CZ2-CH2 3.08Å; W162-W168 AromaticContact CZ2-CZ2 3.29Å; W162-W168 HydrophobicContact CZ2-CZ2 3.29Å; W162-W168 AromaticContact CZ2-CZ3 3.59Å; W162-W168 HydrophobicContact CZ2-CZ3 3.59Å |
| 163 | R | 64.8 | Low | 56.4 | Low | 107 Ų | 107 | 97.4 Ų | 97.4 | 40% | 0.404 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -74.3 | -31.5 | 172.1 | -168.4 | -164 | -34.8 | 139.4 | 12.3 | 112.3 | F159 S160 V161 | F159-R163 WeakPolarHBondContact O-CB 3.44Å; F159-R163 PolarHBondContact O-N 2.76Å; S160-R163 WeakPolarHBondContact O-CB 3.36Å; S160-R163 PolarHBondContact O-N 2.83Å; S160-R163 PolarHBondContact OG-NH2 3.29Å; V161-R163 VanDerWaalsContact C-N 3.27Å; V161-R163 PolarHBondContact O-N 3.02Å |
| 164 | M | 53.3 | Low | 55.4 | Low | 145 Ų | 145 | 104.7 Ų | 104.7 | 71% | 0.714 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -88.1 | -25.8 | 179.6 | -68.1 | -69.5 | 104.6 | 0 | 0 | 112.7 | S160 V161 G166 | S160-M164 WeakPolarHBondContact O-CB 3.37Å; S160-M164 VanDerWaalsContact O-CG 3.25Å; S160-M164 WeakPolarHBondContact O-CG 3.41Å; S160-M164 PolarHBondContact O-N 3.1Å; V161-M164 CarbonylContact O-C 3.57Å; V161-M164 PolarHBondContact O-N 2.73Å; M164-G166 PolarHBondContact O-N 3Å |
| 165 | E | 54.1 | Low | 55 | Low | 133 Ų | 133 | 100.7 Ų | 100.7 | 62% | 0.621 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -75.1 | 94.2 | 177.1 | -156.8 | 111.1 | -151.1 | 0 | 0 | 108.6 | V161 A167 | V161-E165 WeakPolarHBondContact O-CB 3.47Å; V161-E165 PolarHBondContact O-N 3.04Å; E165-A167 PolarHBondContact O-N 3.35Å |
| 166 | G | 53.5 | Low | 54.8 | Low | 48 Ų | 48 | 104.4 Ų | 104.4 | 50% | 0.495 | 59% | 0.586 | S | S | . | * | trans | -62.5 | 31 | -175 | 0 | 0 | 0 | 0 | 0 | 116.7 | M164 W168 S169 | M164-G166 PolarHBondContact O-N 3Å; G166-W168 PolarHBondContact O-N 2.94Å; G166-S169 PolarHBondContact O-N 3.18Å; G166-S169 VanDerWaalsContact O-N 3.09Å | ||
| 167 | A | 46.9 | Very low | 54.3 | Low | 83 Ų | 83 | 106.9 Ų | 106.9 | 69% | 0.686 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -13 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | E165 | E165-A167 PolarHBondContact O-N 3.35Š|
| 168 | W | 52.1 | Low | 53.6 | Low | 113 Ų | 113 | 103.2 Ų | 103.2 | 43% | 0.428 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113 | -4.2 | 179.5 | -59.3 | -2.6 | 0 | 0 | 0 | 114 | Q119 W162 G166 M170 | Q119-W168 HydrophobicContact CB-CZ3 4.5Å; Q119-W168 HydrophobicContact CG-CE3 4.39Å; Q119-W168 HydrophobicContact CG-CH2 4.25Å; Q119-W168 HydrophobicContact CG-CZ3 3.72Å; W162-W168 HydrophobicContact CH2-CE3 4.44Å; W162-W168 AromaticContact CH2-CH2 3.33Å; W162-W168 HydrophobicContact CH2-CH2 3.33Å; W162-W168 HydrophobicContact CH2-CZ2 4.05Å; W162-W168 AromaticContact CH2-CZ3 3.52Å; W162-W168 HydrophobicContact CH2-CZ3 3.52Å; W162-W168 AromaticContact CZ2-CE2 3.99Å; W162-W168 HydrophobicContact CZ2-CE3 4.3Å; W162-W168 AromaticContact CZ2-CH2 3.08Å; W162-W168 HydrophobicContact CZ2-CH2 3.08Å; W162-W168 AromaticContact CZ2-CZ2 3.29Å; W162-W168 HydrophobicContact CZ2-CZ2 3.29Å; W162-W168 AromaticContact CZ2-CZ3 3.59Å; W162-W168 HydrophobicContact CZ2-CZ3 3.59Å; G166-W168 PolarHBondContact O-N 2.94Å; W168-M170 VanDerWaalsContact C-N 3.27Å; W168-M170 PolarHBondContact O-N 2.89Å |
| 169 | S | 50 | Low | 53.1 | Low | 91 Ų | 91 | 106.4 Ų | 106.4 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -81.6 | -5.3 | 177.9 | -165.3 | 0 | 0 | 0 | 0 | 113.3 | G166 | G166-S169 PolarHBondContact O-N 3.18Å; G166-S169 VanDerWaalsContact O-N 3.09Å |
| 170 | M | 48 | Very low | 52.3 | Low | 165 Ų | 165 | 110.3 Ų | 110.3 | 81% | 0.813 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -111 | 77.5 | 179.5 | -65.7 | -79.9 | 89.9 | 0 | 0 | 110.5 | W168 | W168-M170 VanDerWaalsContact C-N 3.27Å; W168-M170 PolarHBondContact O-N 2.89Å |
| 171 | S | 43.7 | Very low | 51.3 | Low | 120 Ų | 120 | 115.1 Ų | 115.1 | 84% | 0.839 | 65% | 0.65 | S | S | * | * | trans | -170.1 | 54.3 | 144.1 | -167.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 172 | A | 47 | Very low | 50.4 | Low | 103 Ų | 103 | 120.4 Ų | 120.4 | 85% | 0.851 | 68% | 0.679 | S | S | * | * | trans | -114.6 | 69 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 173 | S | 42.4 | Very low | 49.5 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | trans | -128.6 | 105.8 | 160.6 | -132.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 174 | H | 38 | Very low | 48.1 | Very low | 257 Ų | 257 | 125.5 Ų | 125.5 | 100% | 1.19 | 74% | 0.739 | S | S | * | * | trans | -139.5 | 0 | 154.2 | -175.3 | -68.1 | 0 | 0 | 0 | 107.1 |
Retrieved 174 of 174 residues in 50.4 ms
(Link to these results)