| 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 | 29.6 | Very low | 26 | Very low | 227 Ų | 227 | 150.7 Ų | 150.7 | 100% | 1.118 | 86% | 0.858 | S | S | * | * | 0 | 58.1 | 0 | -65.1 | 158.3 | -176.6 | 0 | 0 | 107.3 | |||||
| 2 | E | 20.3 | Very low | 26.3 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 89% | 0.893 | 84% | 0.843 | S | S | * | * | 75.9 | 131 | 65 | -74.3 | -170.1 | 115.2 | 0 | 0 | 113.9 | |||||
| 3 | V | 23.4 | Very low | 26.2 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 78% | 0.776 | 85% | 0.845 | S | S | * | * | trans | -83.8 | 144.6 | -178.9 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | V | 24.9 | Very low | 26.5 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 89% | 0.885 | 84% | 0.844 | S | S | * | * | trans | -130.5 | 113.9 | 154.9 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | S | 24.1 | Very low | 26.5 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 72% | 0.72 | 84% | 0.841 | S | S | * | * | trans | -133.4 | 127.4 | 167.1 | -77.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 6 | C | 23.1 | Very low | 26.6 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 78% | 0.777 | 84% | 0.836 | S | S | * | * | trans | -174.6 | 145.3 | 162.7 | -96.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 7 | K | 26 | Very low | 27.4 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | cis | -146.9 | 158.7 | 10 | -119.1 | 163.3 | -170.5 | -178.9 | 0 | 111.4 | ||||
| 8 | T | 28 | Very low | 27.6 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 76% | 0.761 | 83% | 0.831 | S | S | * | * | trans | -69.2 | 145.2 | 173.2 | -26.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 9 | E | 29.1 | Very low | 28.3 | Very low | 202 Ų | 202 | 137.6 Ų | 137.6 | 94% | 0.944 | 83% | 0.833 | S | S | * | * | trans | -137.6 | 147.4 | 136.4 | -70.5 | -154.8 | 135.2 | 0 | 0 | 108.7 | ||||
| 10 | A | 30.1 | Very low | 28.3 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 80% | 0.802 | 83% | 0.833 | S | S | * | * | trans | -114.1 | 148.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 11 | S | 27.9 | Very low | 28.3 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 92% | 0.923 | 83% | 0.83 | S | S | * | * | trans | -141.6 | 145.1 | 153.4 | -157.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 12 | S | 29.1 | Very low | 28.6 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -90.8 | 150 | -161.2 | -178.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 13 | C | 24.6 | Very low | 29.3 | Very low | 128 Ų | 128 | 128 Ų | 128 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -161.2 | 100.1 | 140.9 | -103.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 14 | T | 30.5 | Very low | 29.7 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -1.3 | 157.9 | 160.6 | -20.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 15 | L | 27.3 | Very low | 30.1 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | trans | -107.8 | 150.2 | -167.9 | -76.6 | 152.3 | 0 | 0 | 0 | 116.2 | ||||
| 16 | C | 27.3 | Very low | 30.3 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 75% | 0.75 | 80% | 0.804 | S | S | * | * | trans | 66 | 167 | 141 | -70.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 17 | P | 40.9 | Very low | 30.8 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | cis | -142.9 | 145.3 | -29.5 | 34.1 | -14.2 | 0 | 0 | 0 | 118.2 | ||||
| 18 | G | 31.2 | Very low | 31.3 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 68.5 | 174.8 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 19 | P | 40.3 | Very low | 31.8 | Very low | 132 Ų | 132 | 126 Ų | 126 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | cis | -130.1 | 163.9 | -11.6 | 40.9 | -25.8 | 0 | 0 | 0 | 115.8 | ||||
| 20 | G | 27.8 | Very low | 32.4 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 85.9 | 101.2 | 143.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 21 | A | 28.7 | Very low | 33.1 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -167.9 | 134.1 | 134.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 22 | M | 35.5 | Very low | 34 | Very low | 183 Ų | 183 | 128.8 Ų | 128.8 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | -83.5 | 114.3 | 173 | -69 | -96.3 | -85.3 | 0 | 0 | 109.3 | ||||
| 23 | L | 35.3 | Very low | 34.3 | Very low | 133 Ų | 133 | 132 Ų | 132 | 70% | 0.696 | 80% | 0.799 | S | S | * | * | trans | -124.9 | 119.7 | 166.4 | -78.3 | 176.2 | 0 | 0 | 0 | 112 | H25 | L23-H25 PolarHBondContact O-N 3.07Š| ||
| 24 | F | 32.5 | Very low | 34.9 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -69 | 94.4 | 176.2 | 34.2 | -87.1 | 0 | 0 | 0 | 110.3 | G26 | F24-G26 PolarHBondContact O-N 3.49Š| ||
| 25 | H | 32.3 | Very low | 35.8 | Very low | 180 Ų | 180 | 129.7 Ų | 129.7 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | -78.9 | 82.3 | 155.1 | -82.6 | -75.1 | 0 | 0 | 0 | 109.1 | L23 I27 | L23-H25 PolarHBondContact O-N 3.07Å; H25-I27 PolarHBondContact O-N 3.18Å; H25-I27 VanDerWaalsContact O-N 3.12Å | ||
| 26 | G | 27.7 | Very low | 36.6 | Very low | 63 Ų | 63 | 129.8 Ų | 129.8 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | -59 | 112.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108 | F24 S28 | F24-G26 PolarHBondContact O-N 3.49Å; G26-S28 VanDerWaalsContact C-N 3.3Å; G26-S28 PolarHBondContact O-N 2.92Å | ||
| 27 | I | 33.7 | Very low | 37.5 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -63 | 96.7 | 166.1 | 30.3 | 172.9 | 0 | 0 | 0 | 107.6 | H25 G29 | H25-I27 PolarHBondContact O-N 3.18Å; H25-I27 VanDerWaalsContact O-N 3.12Å; I27-G29 PolarHBondContact O-N 2.82Å | ||
| 28 | S | 36.5 | Very low | 37.7 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -59.7 | 115.7 | 177.5 | 39.2 | 0 | 0 | 0 | 0 | 109.6 | G26 D30 | G26-S28 VanDerWaalsContact C-N 3.3Å; G26-S28 PolarHBondContact O-N 2.92Å; S28-D30 VanDerWaalsContact C-N 3.28Å; S28-D30 PolarHBondContact O-N 3.48Å | ||
| 29 | G | 40.1 | Very low | 38.3 | Very low | 80 Ų | 80 | 134.7 Ų | 134.7 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -75.9 | 77.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I27 | I27-G29 PolarHBondContact O-N 2.82Š| ||
| 30 | D | 41.8 | Very low | 38.7 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -124.7 | 81.3 | 174.4 | -81.2 | -51.1 | 0 | 0 | 0 | 111 | S28 | S28-D30 VanDerWaalsContact C-N 3.28Å; S28-D30 PolarHBondContact O-N 3.48Å | ||
| 31 | H | 43.1 | Very low | 39.5 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -148.9 | 21 | 163.5 | -160.4 | 63.6 | 0 | 0 | 0 | 113.9 | ||
| 32 | I | 47.7 | Very low | 40.4 | Very low | 156 Ų | 156 | 144 Ų | 144 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -142.4 | 53.7 | -180 | -38.4 | 176.9 | 0 | 0 | 0 | 111.6 | ||
| 33 | Q | 36.3 | Very low | 41 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 77% | 0.771 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -171.5 | 108.1 | 147.7 | -151.2 | 69.6 | 6.8 | 0 | 0 | 108.4 | ||
| 34 | G | 35.4 | Very low | 41.3 | Very low | 63 Ų | 63 | 141.4 Ų | 141.4 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | trans | -170 | 9.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 35 | I | 50 | Low | 41.8 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -122.6 | -14.5 | -175.4 | -52.1 | -178.7 | 0 | 0 | 0 | 112.7 | ||
| 36 | M | 44.4 | Very low | 42.3 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 77% | 0.768 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -86.3 | -39.4 | 175.7 | -81 | 175.3 | 57.5 | 0 | 0 | 114.1 | ||
| 37 | E | 45.5 | Very low | 42.9 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -76.9 | -29.5 | -173.5 | -103.5 | 174.9 | 139.4 | 0 | 0 | 114.4 | M39 E40 R41 | E37-M39 VanDerWaalsContact C-N 3.26Å; E37-M39 PolarHBondContact O-N 3.48Å; E37-E40 PolarHBondContact O-N 3.09Å; E37-R41 PolarHBondContact O-N 3.25Å |
| 38 | E | 44.8 | Very low | 43.7 | Very low | 98 Ų | 98 | 139.9 Ų | 139.9 | 46% | 0.458 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -64.3 | -32 | 177.5 | -172.4 | 65.8 | -160 | 0 | 0 | 111.8 | R42 | E38-R42 IonicContact OE1-CZ 3.27Å; E38-R42 IonicContact OE1-NE 3.63Å; E38-R42 IonicContact OE1-NH2 3.13Å; E38-R42 PolarHBondContact OE1-NH2 3.48Å |
| 39 | M | 44.6 | Very low | 44.2 | Very low | 152 Ų | 152 | 143 Ų | 143 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -70.4 | -34.4 | -177.8 | -157.5 | -179.8 | -158 | 0 | 0 | 112.5 | E37 | E37-M39 VanDerWaalsContact C-N 3.26Å; E37-M39 PolarHBondContact O-N 3.48Å |
| 40 | E | 49.3 | Very low | 44.5 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -83.5 | -20.9 | -178.7 | -166.6 | 162.3 | -164.9 | 0 | 0 | 112.9 | E37 T43 | E37-E40 PolarHBondContact O-N 3.09Å; E40-T43 PolarHBondContact O-OG1 3.48Å |
| 41 | R | 44.3 | Very low | 44.5 | Very low | 183 Ų | 183 | 146.6 Ų | 146.6 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -73.8 | -34.5 | 173.4 | -112.4 | -172.6 | 63.1 | 75.6 | 3 | 113.3 | E37 T45 | E37-R41 PolarHBondContact O-N 3.25Å; R41-T45 PolarHBondContact O-OG1 3.26Å |
| 42 | R | 46.9 | Very low | 44.2 | Very low | 170 Ų | 170 | 141 Ų | 141 | 64% | 0.642 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -72.7 | -39.2 | -176.1 | -76.8 | -178.5 | 169 | 157 | 2.1 | 113.5 | E38 K44 T45 | E38-R42 IonicContact OE1-CZ 3.27Å; E38-R42 IonicContact OE1-NE 3.63Å; E38-R42 IonicContact OE1-NH2 3.13Å; E38-R42 PolarHBondContact OE1-NH2 3.48Å; R42-K44 PolarHBondContact O-N 3.13Å; R42-T45 PolarHBondContact O-N 3.09Å; R42-T45 PolarHBondContact O-OG1 2.99Å |
| 43 | T | 48.4 | Very low | 43.7 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 56% | 0.564 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -64.5 | -23.1 | 179.7 | 53 | 0 | 0 | 0 | 0 | 114.1 | E40 S47 | E40-T43 PolarHBondContact O-OG1 3.48Å; T43-S47 PolarHBondContact O-OG 3.36Å; T43-S47 VanDerWaalsContact O-OG 3.06Å |
| 44 | K | 42.3 | Very low | 43.9 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -82.8 | -12 | 179.7 | -150.8 | 168.2 | -170 | 168.5 | 0 | 114.3 | R42 S47 | R42-K44 PolarHBondContact O-N 3.13Å; K44-S47 PolarHBondContact O-OG 3.02Å |
| 45 | T | 42.8 | Very low | 44.2 | Very low | 93 Ų | 93 | 147.1 Ų | 147.1 | 57% | 0.571 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -90 | -44.1 | 178.2 | -17.8 | 0 | 0 | 0 | 0 | 111.5 | R41 R42 S47 | R41-T45 PolarHBondContact O-OG1 3.26Å; R42-T45 PolarHBondContact O-N 3.09Å; R42-T45 PolarHBondContact O-OG1 2.99Å; T45-S47 VanDerWaalsContact C-N 3.29Å; T45-S47 PolarHBondContact O-N 3.49Å |
| 46 | E | 41.8 | Very low | 43.5 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -61.8 | -33 | 179.7 | -64.7 | -73.6 | 104.8 | 0 | 0 | 113.1 | R48 | E46-R48 PolarHBondContact O-N 3.24Å; E46-R48 VanDerWaalsContact O-N 3.11Å |
| 47 | S | 41.8 | Very low | 43.3 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 59% | 0.587 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -0.8 | -173 | 41 | 0 | 0 | 0 | 0 | 115.4 | T43 K44 T45 | T43-S47 PolarHBondContact O-OG 3.36Å; T43-S47 VanDerWaalsContact O-OG 3.06Å; K44-S47 PolarHBondContact O-OG 3.02Å; T45-S47 VanDerWaalsContact C-N 3.29Å; T45-S47 PolarHBondContact O-N 3.49Å |
| 48 | R | 49.1 | Very low | 43.1 | Very low | 223 Ų | 223 | 147.4 Ų | 147.4 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -7.8 | -179.2 | -74.9 | -173.1 | 171.8 | -170.2 | -3.6 | 115.7 | E46 | E46-R48 PolarHBondContact O-N 3.24Å; E46-R48 VanDerWaalsContact O-N 3.11Å |
| 49 | L | 48.2 | Very low | 42.8 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -103.7 | -7.8 | -177.1 | -78.4 | 161.6 | 0 | 0 | 0 | 114.8 | K51 | L49-K51 PolarHBondContact O-N 3.05Š|
| 50 | A | 45.5 | Very low | 43 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | -97.3 | 40.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 51 | K | 41.7 | Very low | 42.3 | Very low | 213 Ų | 213 | 148.1 Ų | 148.1 | 93% | 0.926 | 76% | 0.764 | S | S | * | * | trans | -138.4 | 87.8 | 171 | -86.3 | -170.2 | 174.7 | 179.8 | 0 | 112.3 | L49 | L49-K51 PolarHBondContact O-N 3.05Š| ||
| 52 | G | 38 | Very low | 42.1 | Very low | 67 Ų | 67 | 148 Ų | 148 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -166.3 | 135.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 53 | M | 36.2 | Very low | 41.6 | Very low | 202 Ų | 202 | 145.9 Ų | 145.9 | 100% | 0.995 | 78% | 0.779 | S | S | * | * | trans | 78.8 | 140.6 | 167.8 | -48.3 | -176.6 | 78.9 | 0 | 0 | 117.3 | ||||
| 54 | Q | 41.8 | Very low | 41.3 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -132.6 | 150.6 | -169.4 | -116.3 | -178.3 | 29.9 | 0 | 0 | 109.6 | ||||
| 55 | L | 41.9 | Very low | 41.3 | Very low | 137 Ų | 137 | 146 Ų | 146 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | 60 | 106.8 | 157 | -58.1 | 173.4 | 0 | 0 | 0 | 118.8 | ||||
| 56 | N | 34.5 | Very low | 41.2 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | -178.7 | 154 | 94.4 | -92.6 | -31.6 | 0 | 0 | 0 | 111 | |||||
| 57 | G | 40.9 | Very low | 41.5 | Very low | 70 Ų | 70 | 143.9 Ų | 143.9 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -100.1 | 146.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 58 | R | 41.5 | Very low | 42.1 | Very low | 245 Ų | 245 | 147.1 Ų | 147.1 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -172.5 | 147.4 | 141.9 | -108.3 | 164.9 | 170.9 | 162.7 | -3 | 111.6 | ||||
| 59 | E | 37.4 | Very low | 42.7 | Very low | 168 Ų | 168 | 146 Ų | 146 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 26.8 | 116.6 | 165.9 | -122.3 | 100.3 | 104.4 | 0 | 0 | 121.2 | T61 | E59-T61 PolarHBondContact O-N 3.07Š| ||
| 60 | S | 48.5 | Very low | 43.5 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 12.8 | 96.4 | 138 | -55 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 61 | T | 35.8 | Very low | 45.2 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | -139.4 | 114.8 | 141.4 | -65.7 | 0 | 0 | 0 | 0 | 108.6 | E59 T63 | E59-T61 PolarHBondContact O-N 3.07Å; T61-T63 PolarHBondContact O-N 2.75Å | ||
| 62 | M | 38.8 | Very low | 47.6 | Very low | 181 Ų | 181 | 133 Ų | 133 | 89% | 0.892 | 74% | 0.737 | S | S | * | * | trans | -68.6 | 112.6 | 176.4 | 59.6 | -164.4 | -176 | 0 | 0 | 109.9 | S64 | M62-S64 PolarHBondContact O-N 2.8Å; M62-S64 VanDerWaalsContact O-N 3.09Å | ||
| 63 | T | 37.6 | Very low | 50.2 | Low | 124 Ų | 124 | 129.9 Ų | 129.9 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | trans | -66.4 | 111.7 | 168.5 | -53.5 | 0 | 0 | 0 | 0 | 108.2 | T61 M65 | T61-T63 PolarHBondContact O-N 2.75Å; T63-M65 PolarHBondContact O-N 3.08Å | ||
| 64 | S | 41.7 | Very low | 52.8 | Low | 108 Ų | 108 | 122.7 Ų | 122.7 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | trans | -63.5 | 100.9 | 179.6 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | M62 | M62-S64 PolarHBondContact O-N 2.8Å; M62-S64 VanDerWaalsContact O-N 3.09Å | ||
| 65 | M | 41.4 | Very low | 55.1 | Low | 155 Ų | 155 | 116.3 Ų | 116.3 | 76% | 0.764 | 66% | 0.658 | S | S | * | * | trans | -63.9 | 134.7 | 160.6 | -61.9 | -87.3 | 71.1 | 0 | 0 | 108 | T63 | T63-M65 PolarHBondContact O-N 3.08Š| ||
| 66 | S | 41.4 | Very low | 57.5 | Low | 74 Ų | 74 | 113.4 Ų | 113.4 | 52% | 0.517 | 65% | 0.648 | S | S | . | * | trans | -52.8 | 157 | 173.4 | 33.7 | 0 | 0 | 0 | 0 | 111.4 | E68 | S66-E68 PolarHBondContact O-N 3.29Å; S66-E68 PolarHBondContact OG-OE1 3.14Å | ||
| 67 | P | 47.4 | Very low | 60.2 | Low | 131 Ų | 131 | 108 Ų | 108 | 85% | 0.851 | 63% | 0.631 | S | S | * | * | trans | -70.1 | 78 | 169.9 | 31 | -34.3 | 0 | 0 | 0 | 109.6 | K69 | P67-K69 PolarHBondContact O-N 3.09Š| ||
| 68 | E | 55.2 | Low | 62.7 | Low | 152 Ų | 152 | 106.2 Ų | 106.2 | 71% | 0.71 | 61% | 0.612 | S | S | * | * | trans | -44.7 | 127.6 | 164.5 | -66.6 | -66.7 | 107.6 | 0 | 0 | 107.8 | S66 | S66-E68 PolarHBondContact O-N 3.29Å; S66-E68 PolarHBondContact OG-OE1 3.14Å | ||
| 69 | K | 60.9 | Low | 65.2 | Low | 198 Ų | 198 | 101.8 Ų | 101.8 | 86% | 0.861 | 60% | 0.599 | S | S | * | * | trans | -49.6 | 129.5 | -166.4 | -70.6 | 165.8 | 178.7 | 167.8 | 0 | 110.3 | P67 A71 | P67-K69 PolarHBondContact O-N 3.09Å; K69-A71 PolarHBondContact O-N 2.95Å | ||
| 70 | P | 65.8 | Low | 67.7 | Low | 71 Ų | 71 | 95 Ų | 95 | 46% | 0.461 | 57% | 0.568 | S | S | . | * | trans | -58.2 | 134.4 | -174.4 | 24.3 | -34.3 | 0 | 0 | 0 | 110.1 | L72 K79 | P70-L72 HydrophobicContact CG-CD2 4.31Å; P70-L72 WeakPolarHBondContact O-CG 3.5Å; P70-L72 PolarHBondContact O-N 2.94Å; P70-K79 HydrophobicContact CB-CD 4.11Å; P70-K79 HydrophobicContact CB-CG 4.15Å; P70-K79 HydrophobicContact CG-CD 4.48Å | ||
| 71 | A | 80.6 | Confident | 69.7 | Low | 34 Ų | 34 | 94.7 Ų | 94.7 | 28% | 0.281 | 57% | 0.566 | S | S | . | * | trans | -53.6 | 104 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | K69 K79 I80 Q92 | K69-A71 PolarHBondContact O-N 2.95Å; A71-K79 CarbonylContact O-C 3.57Å; A71-K79 WeakPolarHBondContact O-CA 3.19Å; A71-I80 HydrophobicContact CB-CB 4.27Å; A71-I80 HydrophobicContact CB-CD1 4.45Å; A71-I80 PolarHBondContact O-N 3.02Å; A71-Q92 VanDerWaalsContact CA-OE1 3.29Å | ||
| 72 | L | 92.8 | Very high | 72.2 | Confident | 92 Ų | 92 | 92.3 Ų | 92.3 | 48% | 0.482 | 55% | 0.549 | S | S | . | . | B | Isolated β-bridge | trans | -97.4 | 129.4 | 178.3 | -60.1 | -170.1 | 0 | 0 | 0 | 109.8 | P70 A74 G78 K79 | P70-L72 HydrophobicContact CG-CD2 4.31Å; P70-L72 WeakPolarHBondContact O-CG 3.5Å; P70-L72 PolarHBondContact O-N 2.94Å; L72-A74 PolarHBondContact O-N 3.36Å; L72-G78 WeakPolarHBondContact CA-O 3.34Å; L72-K79 HydrophobicContact CD2-CB 4.37Å; L72-K79 HydrophobicContact CD2-CG 3.7Å |
| 73 | C | 93 | Very high | 74.5 | Confident | 1 Ų | 1 | 94 Ų | 94 | 1% | 0.007 | 55% | 0.545 | C | S | . | . | trans | -70.1 | 117.6 | 176.5 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | G75 C76 G77 G78 I80 Q92 H94 C97 | C73-G75 PolarHBondContact O-N 3.09Å; C73-G75 VanDerWaalsContact O-N 3.09Å; C73-G75 PolarHBondContact SG-N 2.86Å; C73-C76 PolarHBondContact O-N 3.45Å; C73-C76 VanDerWaalsContact O-N 3.11Å; C73-G77 WeakPolarHBondContact O-CA 3.25Å; C73-G77 PolarHBondContact O-N 3.19Å; C73-G78 PolarHBondContact N-O 3.08Å; C73-I80 HydrophobicContact CB-CD1 4.05Å; C73-I80 HydrophobicContact CB-CG1 3.79Å; C73-Q92 CarbonylContact C-O 3.56Å; C73-Q92 WeakPolarHBondContact CA-O 3.47Å; C73-H94 WeakPolarHBondContact CB-CE1 3.32Å; C73-H94 VanDerWaalsContact CB-ND1 3.32Å; C73-H94 WeakPolarHBondContact CB-ND1 3.49Å; C73-H94 PolarHBondContact SG-N 3.49Å; C73-H94 VanDerWaalsContact SG-N 3.36Å; C73-H94 PolarHBondContact SG-ND1 2.87Å; C73-C97 WeakPolarHBondContact SG-CB 3.01Å | ||
| 74 | A | 90.6 | Very high | 76.9 | Confident | 51 Ų | 51 | 95.9 Ų | 95.9 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | L72 K91 Q92 W93 | L72-A74 PolarHBondContact O-N 3.36Å; A74-K91 HydrophobicContact CB-CB 3.9Å; A74-K91 HydrophobicContact CB-CD 3.89Å; A74-K91 HydrophobicContact CB-CG 4.34Å; A74-Q92 PolarHBondContact N-O 3.43Å; A74-W93 HydrophobicContact CB-CD2 4.1Å; A74-W93 HydrophobicContact CB-CE3 4.32Å; A74-W93 HydrophobicContact CB-CH2 3.99Å; A74-W93 HydrophobicContact CB-CZ2 3.75Å; A74-W93 HydrophobicContact CB-CZ3 4.28Å |
| 75 | G | 89.5 | Confident | 79.2 | Confident | 39 Ų | 39 | 96.2 Ų | 96.2 | 40% | 0.402 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | C73 W93 | C73-G75 PolarHBondContact O-N 3.09Å; C73-G75 VanDerWaalsContact O-N 3.09Å; C73-G75 PolarHBondContact SG-N 2.86Å; G75-W93 VanDerWaalsContact CA-CZ3 3.45Å |
| 76 | C | 92.3 | Very high | 81.5 | Confident | 76 Ų | 76 | 91 Ų | 91 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146 | -3.5 | -179.7 | 69 | 0 | 0 | 0 | 0 | 115.8 | C73 G78 H94 | C73-C76 PolarHBondContact O-N 3.45Å; C73-C76 VanDerWaalsContact O-N 3.11Å; C76-G78 PolarHBondContact O-N 2.91Å; C76-H94 VanDerWaalsContact SG-CE1 3.55Å; C76-H94 PolarHBondContact SG-ND1 2.82Å; C76-H94 VanDerWaalsContact SG-ND1 3.42Å |
| 77 | G | 90.9 | Very high | 83.7 | Confident | 50 Ų | 50 | 93.5 Ų | 93.5 | 52% | 0.515 | 51% | 0.507 | S | S | . | . | trans | 71.5 | -13.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | C73 | C73-G77 WeakPolarHBondContact O-CA 3.25Å; C73-G77 PolarHBondContact O-N 3.19Å | ||
| 78 | G | 93.1 | Very high | 85.7 | Confident | 31 Ų | 31 | 87.8 Ų | 87.8 | 32% | 0.32 | 47% | 0.471 | S | S | . | . | trans | -70 | 152.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L72 C73 C76 | L72-G78 WeakPolarHBondContact CA-O 3.34Å; C73-G78 PolarHBondContact N-O 3.08Å; C76-G78 PolarHBondContact O-N 2.91Å | ||
| 79 | K | 94.1 | Very high | 87.2 | Confident | 152 Ų | 152 | 84.2 Ų | 84.2 | 66% | 0.661 | 46% | 0.459 | S | S | * | . | B | Isolated β-bridge | trans | -64.9 | 134.3 | 171.4 | -62.5 | -177.3 | -178.6 | -179.9 | 0 | 110 | P70 A71 L72 S81 | P70-K79 HydrophobicContact CB-CD 4.11Å; P70-K79 HydrophobicContact CB-CG 4.15Å; P70-K79 HydrophobicContact CG-CD 4.48Å; A71-K79 CarbonylContact O-C 3.57Å; A71-K79 WeakPolarHBondContact O-CA 3.19Å; L72-K79 HydrophobicContact CD2-CB 4.37Å; L72-K79 HydrophobicContact CD2-CG 3.7Å; K79-S81 PolarHBondContact O-N 2.82Å |
| 80 | I | 91.4 | Very high | 88.4 | Confident | 26 Ų | 26 | 82.2 Ų | 82.2 | 13% | 0.133 | 46% | 0.458 | C | S | . | . | trans | -80.8 | 108.6 | 175.4 | -60.4 | 172 | 0 | 0 | 0 | 108.8 | A71 C73 D82 Y85 Q92 H94 | A71-I80 HydrophobicContact CB-CB 4.27Å; A71-I80 HydrophobicContact CB-CD1 4.45Å; A71-I80 PolarHBondContact O-N 3.02Å; C73-I80 HydrophobicContact CB-CD1 4.05Å; C73-I80 HydrophobicContact CB-CG1 3.79Å; I80-D82 HydrophobicContact CG2-CB 4.36Å; I80-Y85 HydrophobicContact CG2-CD1 4.29Å; I80-Y85 HydrophobicContact CG2-CG 4.3Å; I80-Q92 HydrophobicContact CD1-CB 3.55Å; I80-H94 WeakPolarHBondContact CA-NE2 3.29Å | ||
| 81 | S | 90 | Very high | 89.5 | Confident | 112 Ų | 112 | 84.1 Ų | 84.1 | 78% | 0.783 | 46% | 0.459 | S | S | * | . | trans | -101.5 | -2.6 | 170.8 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | K79 | K79-S81 PolarHBondContact O-N 2.82Š| ||
| 82 | D | 87.1 | Confident | 90 | Very high | 81 Ų | 81 | 85.3 Ų | 85.3 | 43% | 0.433 | 46% | 0.458 | S | S | . | . | trans | -69.5 | 143.6 | -176.7 | -68.4 | -16.2 | 0 | 0 | 0 | 111.6 | I80 Y84 H94 | I80-D82 HydrophobicContact CG2-CB 4.36Å; D82-Y84 WeakPolarHBondContact CB-O 3.31Å; D82-Y84 PolarHBondContact O-N 2.92Å; D82-H94 IonicContact OD2-CD2 4Å; D82-H94 PolarHBondContact OD2-CD2 3.28Å; D82-H94 VanDerWaalsContact OD2-CD2 3.27Å; D82-H94 IonicContact OD2-CG 3.93Å | ||
| 83 | R | 88.3 | Confident | 90 | Very high | 215 Ų | 215 | 82 Ų | 82 | 81% | 0.811 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -59.6 | -30.1 | 173.8 | -176.8 | -176 | -67 | -175.1 | -0.3 | 112.6 | ||
| 84 | Y | 86.8 | Confident | 89.9 | Confident | 165 Ų | 165 | 83.1 Ų | 83.1 | 65% | 0.647 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -130.7 | 137.5 | -179.5 | -54.8 | -65.3 | 0 | 0 | 0 | 109.2 | D82 L95 | D82-Y84 WeakPolarHBondContact CB-O 3.31Å; D82-Y84 PolarHBondContact O-N 2.92Å; Y84-L95 VanDerWaalsContact O-CD1 3.3Å; Y84-L95 WeakPolarHBondContact O-CD1 3.49Å |
| 85 | Y | 90.5 | Very high | 89.9 | Confident | 115 Ų | 115 | 83.7 Ų | 83.7 | 45% | 0.451 | 44% | 0.44 | S | S | . | . | trans | -139.6 | 163.3 | 176.3 | 64.4 | -94.7 | 0 | 0 | 0 | 109.7 | I80 Q92 | I80-Y85 HydrophobicContact CG2-CD1 4.29Å; I80-Y85 HydrophobicContact CG2-CG 4.3Å; Y85-Q92 HydrophobicContact CD2-CB 4.27Å; Y85-Q92 HydrophobicContact CD2-CG 4.21Å; Y85-Q92 HydrophobicContact CE2-CB 4.48Å; Y85-Q92 HydrophobicContact CE2-CG 3.92Å | ||
| 86 | L | 89.3 | Confident | 89.9 | Confident | 45 Ų | 45 | 92.2 Ų | 92.2 | 24% | 0.236 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 138.7 | 178.1 | -58.1 | 176.8 | 0 | 0 | 0 | 109.8 | Q92 W93 L95 L98 E108 | L86-Q92 CarbonylContact O-C 3.6Å; L86-Q92 WeakPolarHBondContact O-CA 3.43Å; L86-W93 HydrophobicContact CB-CB 4.41Å; L86-W93 PolarHBondContact N-O 3.47Å; L86-W93 PolarHBondContact O-N 3.16Å; L86-L95 HydrophobicContact CD1-CG 4.35Å; L86-L95 HydrophobicContact CD2-CD1 4.45Å; L86-L95 HydrophobicContact CD2-CG 4.43Å; L86-L95 HydrophobicContact CG-CD1 4.11Å; L86-L95 HydrophobicContact CG-CG 4.16Å; L86-L98 HydrophobicContact CB-CD2 4.37Å; L86-L98 HydrophobicContact CD1-CB 3.9Å; L86-L98 HydrophobicContact CD1-CD2 3.67Å; L86-L98 HydrophobicContact CD1-CG 4.44Å; L86-E108 HydrophobicContact CD1-CB 4.21Å |
| 87 | L | 89.1 | Confident | 89.9 | Confident | 127 Ų | 127 | 89.8 Ų | 89.8 | 67% | 0.665 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 117.6 | 170.8 | -172 | 73.8 | 0 | 0 | 0 | 108.2 | K91 Q92 | L87-K91 WeakPolarHBondContact CA-O 3.49Å; L87-Q92 HydrophobicContact CD1-CG 3.91Å |
| 88 | A | 87.8 | Confident | 89.9 | Confident | 11 Ų | 11 | 87.8 Ų | 87.8 | 9% | 0.091 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 130.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | D90 K91 W93 L98 | A88-D90 VanDerWaalsContact C-N 3.34Å; A88-D90 PolarHBondContact O-N 3.14Å; A88-K91 PolarHBondContact N-O 3.21Å; A88-K91 PolarHBondContact O-N 3.27Å; A88-K91 VanDerWaalsContact O-N 3.12Å; A88-K91 VanDerWaalsContact O-O 3.11Å; A88-W93 PolarHBondContact O-NE1 3.11Å; A88-L98 HydrophobicContact CB-CD1 4.05Å; A88-L98 HydrophobicContact CB-CD2 4.38Å |
| 89 | V | 87.7 | Confident | 89.9 | Confident | 76 Ų | 76 | 91.4 Ų | 91.4 | 46% | 0.461 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 48.9 | 179.5 | -158.1 | 0 | 0 | 0 | 0 | 111.7 | K91 A115 I120 | V89-K91 WeakPolarHBondContact O-CG 3.36Å; V89-K91 PolarHBondContact O-N 3.5Å; V89-A115 HydrophobicContact CB-CB 4.47Å; V89-A115 HydrophobicContact CG1-CB 4.09Å; V89-A115 HydrophobicContact CG2-CB 3.51Å; V89-I120 HydrophobicContact CG2-CD1 3.58Å |
| 90 | D | 86.4 | Confident | 89.9 | Confident | 156 Ų | 156 | 84.1 Ų | 84.1 | 83% | 0.834 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 24.6 | -177.9 | -51.1 | -44 | 0 | 0 | 0 | 114.6 | A88 | A88-D90 VanDerWaalsContact C-N 3.34Å; A88-D90 PolarHBondContact O-N 3.14Å |
| 91 | K | 88.6 | Confident | 89.9 | Confident | 112 Ų | 112 | 84.6 Ų | 84.6 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 147.6 | 179.3 | -68.2 | 178.8 | -164.8 | -55.6 | 0 | 111.1 | A74 L87 A88 V89 W93 | A74-K91 HydrophobicContact CB-CB 3.9Å; A74-K91 HydrophobicContact CB-CD 3.89Å; A74-K91 HydrophobicContact CB-CG 4.34Å; L87-K91 WeakPolarHBondContact CA-O 3.49Å; A88-K91 PolarHBondContact N-O 3.21Å; A88-K91 PolarHBondContact O-N 3.27Å; A88-K91 VanDerWaalsContact O-N 3.12Å; A88-K91 VanDerWaalsContact O-O 3.11Å; V89-K91 WeakPolarHBondContact O-CG 3.36Å; V89-K91 PolarHBondContact O-N 3.5Å; K91-W93 PolarHBondContact O-NE1 3.45Å |
| 92 | Q | 91.3 | Very high | 89.9 | Confident | 58 Ų | 58 | 81.9 Ų | 81.9 | 27% | 0.271 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 143.7 | 178.4 | -62.6 | 166 | -34.4 | 0 | 0 | 110.3 | A71 C73 A74 I80 Y85 L86 L87 | A71-Q92 VanDerWaalsContact CA-OE1 3.29Å; C73-Q92 CarbonylContact C-O 3.56Å; C73-Q92 WeakPolarHBondContact CA-O 3.47Å; A74-Q92 PolarHBondContact N-O 3.43Å; I80-Q92 HydrophobicContact CD1-CB 3.55Å; Y85-Q92 HydrophobicContact CD2-CB 4.27Å; Y85-Q92 HydrophobicContact CD2-CG 4.21Å; Y85-Q92 HydrophobicContact CE2-CB 4.48Å; Y85-Q92 HydrophobicContact CE2-CG 3.92Å; L86-Q92 CarbonylContact O-C 3.6Å; L86-Q92 WeakPolarHBondContact O-CA 3.43Å; L87-Q92 HydrophobicContact CD1-CG 3.91Å |
| 93 | W | 91.8 | Very high | 90.2 | Very high | 22 Ų | 22 | 81.2 Ų | 81.2 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 139.5 | -176.3 | -53.7 | 77.9 | 0 | 0 | 0 | 110.3 | A74 G75 L86 A88 K91 L98 I120 | A74-W93 HydrophobicContact CB-CD2 4.1Å; A74-W93 HydrophobicContact CB-CE3 4.32Å; A74-W93 HydrophobicContact CB-CH2 3.99Å; A74-W93 HydrophobicContact CB-CZ2 3.75Å; A74-W93 HydrophobicContact CB-CZ3 4.28Å; G75-W93 VanDerWaalsContact CA-CZ3 3.45Å; L86-W93 HydrophobicContact CB-CB 4.41Å; L86-W93 PolarHBondContact N-O 3.47Å; L86-W93 PolarHBondContact O-N 3.16Å; A88-W93 PolarHBondContact O-NE1 3.11Å; K91-W93 PolarHBondContact O-NE1 3.45Å; W93-L98 HydrophobicContact CB-CB 4.1Å; W93-L98 HydrophobicContact CB-CD1 4.42Å; W93-L98 HydrophobicContact CD2-CD1 3.61Å; W93-L98 HydrophobicContact CE3-CD1 3.99Å; W93-L98 HydrophobicContact CG-CB 4.35Å; W93-L98 HydrophobicContact CG-CD1 3.79Å; W93-L98 HydrophobicContact CZ2-CD1 4.37Å; W93-I120 HydrophobicContact CH2-CG1 3.78Å; W93-I120 HydrophobicContact CZ2-CD1 4.23Å; W93-I120 HydrophobicContact CZ2-CG1 3.77Å |
| 94 | H | 91.8 | Very high | 90.3 | Very high | 26 Ų | 26 | 77.4 Ų | 77.4 | 12% | 0.12 | 37% | 0.367 | C | S | . | . | trans | -61.3 | 149.5 | 158.4 | -53.9 | 114.6 | 0 | 0 | 0 | 109.2 | C73 C76 I80 D82 R96 C97 L98 | C73-H94 WeakPolarHBondContact CB-CE1 3.32Å; C73-H94 VanDerWaalsContact CB-ND1 3.32Å; C73-H94 WeakPolarHBondContact CB-ND1 3.49Å; C73-H94 PolarHBondContact SG-N 3.49Å; C73-H94 VanDerWaalsContact SG-N 3.36Å; C73-H94 PolarHBondContact SG-ND1 2.87Å; C76-H94 VanDerWaalsContact SG-CE1 3.55Å; C76-H94 PolarHBondContact SG-ND1 2.82Å; C76-H94 VanDerWaalsContact SG-ND1 3.42Å; I80-H94 WeakPolarHBondContact CA-NE2 3.29Å; D82-H94 IonicContact OD2-CD2 4Å; D82-H94 PolarHBondContact OD2-CD2 3.28Å; D82-H94 VanDerWaalsContact OD2-CD2 3.27Å; D82-H94 IonicContact OD2-CG 3.93Å; H94-R96 VanDerWaalsContact C-N 3.32Å; H94-R96 PolarHBondContact O-N 3Å; H94-C97 HydrophobicContact CB-CB 3.95Å; H94-C97 WeakPolarHBondContact O-CA 3.4Å; H94-C97 WeakPolarHBondContact O-CB 3.21Å; H94-C97 PolarHBondContact O-N 3.16Å; H94-L98 PolarHBondContact O-N 2.83Å | ||
| 95 | L | 90 | Very high | 90.6 | Very high | 63 Ų | 63 | 74 Ų | 74 | 33% | 0.33 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -50.7 | -52.2 | 178.3 | -83.3 | 64.5 | 0 | 0 | 0 | 111.4 | Y84 L86 C97 L98 E108 | Y84-L95 VanDerWaalsContact O-CD1 3.3Å; Y84-L95 WeakPolarHBondContact O-CD1 3.49Å; L86-L95 HydrophobicContact CD1-CG 4.35Å; L86-L95 HydrophobicContact CD2-CD1 4.45Å; L86-L95 HydrophobicContact CD2-CG 4.43Å; L86-L95 HydrophobicContact CG-CD1 4.11Å; L86-L95 HydrophobicContact CG-CG 4.16Å; L95-C97 PolarHBondContact O-N 3.32Å; L95-L98 PolarHBondContact O-N 3.41Å; L95-E108 HydrophobicContact CB-CB 4.26Å; L95-E108 WeakPolarHBondContact CB-OE2 3.17Å |
| 96 | R | 90.3 | Very high | 90.6 | Very high | 218 Ų | 218 | 70.4 Ų | 70.4 | 82% | 0.823 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -65.9 | -14.4 | 176.2 | -69.6 | 169.5 | 52.8 | -152 | -5.5 | 115.5 | H94 | H94-R96 VanDerWaalsContact C-N 3.32Å; H94-R96 PolarHBondContact O-N 3Å |
| 97 | C | 91.3 | Very high | 90.6 | Very high | 25 Ų | 25 | 68.4 Ų | 68.4 | 17% | 0.169 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -94.2 | -23 | -178.5 | -74 | 0 | 0 | 0 | 0 | 112.9 | C73 H94 L95 K99 | C73-C97 WeakPolarHBondContact SG-CB 3.01Å; H94-C97 HydrophobicContact CB-CB 3.95Å; H94-C97 WeakPolarHBondContact O-CA 3.4Å; H94-C97 WeakPolarHBondContact O-CB 3.21Å; H94-C97 PolarHBondContact O-N 3.16Å; L95-C97 PolarHBondContact O-N 3.32Å; C97-K99 PolarHBondContact O-N 2.89Å; C97-K99 VanDerWaalsContact O-N 3.16Å |
| 98 | L | 91.4 | Very high | 90.3 | Very high | 8 Ų | 8 | 67.2 Ų | 67.2 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | trans | -78.4 | 97.8 | 173.6 | -169.1 | 73.8 | 0 | 0 | 0 | 109.4 | L86 A88 W93 H94 L95 L107 I120 | L86-L98 HydrophobicContact CB-CD2 4.37Å; L86-L98 HydrophobicContact CD1-CB 3.9Å; L86-L98 HydrophobicContact CD1-CD2 3.67Å; L86-L98 HydrophobicContact CD1-CG 4.44Å; A88-L98 HydrophobicContact CB-CD1 4.05Å; A88-L98 HydrophobicContact CB-CD2 4.38Å; W93-L98 HydrophobicContact CB-CB 4.1Å; W93-L98 HydrophobicContact CB-CD1 4.42Å; W93-L98 HydrophobicContact CD2-CD1 3.61Å; W93-L98 HydrophobicContact CE3-CD1 3.99Å; W93-L98 HydrophobicContact CG-CB 4.35Å; W93-L98 HydrophobicContact CG-CD1 3.79Å; W93-L98 HydrophobicContact CZ2-CD1 4.37Å; H94-L98 PolarHBondContact O-N 2.83Å; L95-L98 PolarHBondContact O-N 3.41Å; L98-L107 HydrophobicContact CD2-CB 4.19Å; L98-L107 HydrophobicContact CG-CB 4.2Å; L98-L107 PolarHBondContact O-N 3.03Å; L98-I120 HydrophobicContact CD1-CG1 4.38Å; L98-I120 HydrophobicContact CD1-CG2 4.21Å | ||
| 99 | K | 93.4 | Very high | 89.9 | Confident | 106 Ų | 106 | 71.1 Ų | 71.1 | 46% | 0.461 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -137.9 | 151.7 | -178.8 | 63.3 | -170.7 | 174.2 | -172.9 | 0 | 111.4 | C97 C101 L105 | C97-K99 PolarHBondContact O-N 2.89Å; C97-K99 VanDerWaalsContact O-N 3.16Å; K99-C101 PolarHBondContact O-N 3.22Å; K99-L105 CarbonylContact C-O 3.57Å; K99-L105 WeakPolarHBondContact CA-O 3.44Å; K99-L105 WeakPolarHBondContact CB-O 3.45Å |
| 100 | C | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | -60.8 | 133.2 | 173.7 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | E102 C103 K104 L105 L107 C122 D125 | C100-E102 PolarHBondContact O-N 2.8Å; C100-E102 PolarHBondContact SG-N 3.19Å; C100-E102 VanDerWaalsContact SG-N 3.37Å; C100-C103 VanDerWaalsContact CB-SG 3.57Å; C100-C103 VanDerWaalsContact SG-SG 3.69Å; C100-K104 WeakPolarHBondContact O-CA 3.42Å; C100-K104 PolarHBondContact O-N 3.35Å; C100-K104 VanDerWaalsContact O-N 3.14Å; C100-L105 PolarHBondContact N-O 2.88Å; C100-L107 HydrophobicContact CB-CD1 4.47Å; C100-C122 HydrophobicContact CB-CB 3.98Å; C100-C122 PolarHBondContact SG-N 3.42Å; C100-D125 PolarHBondContact SG-OD2 2.9Å; C100-D125 VanDerWaalsContact SG-OD2 3.35Å | ||
| 101 | C | 91.9 | Very high | 88.7 | Confident | 36 Ų | 36 | 71.4 Ų | 71.4 | 24% | 0.243 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.1 | 177.5 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | K99 K104 I120 Y121 | K99-C101 PolarHBondContact O-N 3.22Å; C101-K104 PolarHBondContact O-NZ 2.77Å; C101-I120 PolarHBondContact N-O 3.41Å; C101-I120 PolarHBondContact SG-O 3.11Å; C101-Y121 WeakPolarHBondContact SG-CE1 3.5Å |
| 102 | E | 90.8 | Very high | 88.3 | Confident | 54 Ų | 54 | 69.9 Ų | 69.9 | 25% | 0.252 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -84.7 | 177.2 | -56.6 | -56.8 | 158.6 | 0 | 0 | 111.2 | C100 K104 Y121 D125 R129 | C100-E102 PolarHBondContact O-N 2.8Å; C100-E102 PolarHBondContact SG-N 3.19Å; C100-E102 VanDerWaalsContact SG-N 3.37Å; E102-K104 PolarHBondContact O-N 3.12Å; E102-Y121 HydrophobicContact CG-CD1 3.83Å; E102-Y121 HydrophobicContact CG-CE1 3.68Å; E102-D125 HydrophobicContact CB-CB 4.06Å; E102-D125 WeakPolarHBondContact CB-OD2 3.31Å; E102-D125 HydrophobicContact CG-CB 4.19Å; E102-R129 VanDerWaalsContact CD-NH2 3.33Å; E102-R129 IonicContact OE1-CZ 3.03Å; E102-R129 IonicContact OE1-NE 3.96Å; E102-R129 PolarHBondContact OE1-NE 3.47Å; E102-R129 IonicContact OE1-NH1 2.67Å; E102-R129 PolarHBondContact OE1-NH1 2.99Å; E102-R129 IonicContact OE1-NH2 3.58Å; E102-R129 IonicContact OE2-CZ 2.99Å; E102-R129 IonicContact OE2-NE 2.66Å; E102-R129 IonicContact OE2-NH1 3.35Å; E102-R129 PolarHBondContact OE2-NH1 3.18Å; E102-R129 IonicContact OE2-NH2 2.71Å; E102-R129 PolarHBondContact OE2-NH2 3.47Å |
| 103 | C | 92.1 | Very high | 88.2 | Confident | 67 Ų | 67 | 69 Ų | 69 | 45% | 0.453 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -4.3 | -176.9 | 63.1 | 0 | 0 | 0 | 0 | 115.6 | C100 L105 D125 | C100-C103 VanDerWaalsContact CB-SG 3.57Å; C100-C103 VanDerWaalsContact SG-SG 3.69Å; C103-L105 PolarHBondContact O-N 2.8Å; C103-L105 WeakPolarHBondContact SG-CB 3.34Å; C103-D125 VanDerWaalsContact CB-OD2 3.26Å; C103-D125 WeakPolarHBondContact CB-OD2 3.16Å; C103-D125 PolarHBondContact N-OD2 3.45Å; C103-D125 PolarHBondContact SG-OD2 2.71Å |
| 104 | K | 91.8 | Very high | 88.1 | Confident | 135 Ų | 135 | 70.3 Ų | 70.3 | 59% | 0.587 | 36% | 0.362 | S | S | * | . | trans | 58.3 | 8.3 | -176.1 | -45.6 | -52.6 | -175.7 | -171.2 | 0 | 115.5 | C100 C101 E102 A106 | C100-K104 WeakPolarHBondContact O-CA 3.42Å; C100-K104 PolarHBondContact O-N 3.35Å; C100-K104 VanDerWaalsContact O-N 3.14Å; C101-K104 PolarHBondContact O-NZ 2.77Å; E102-K104 PolarHBondContact O-N 3.12Å; K104-A106 PolarHBondContact O-N 2.67Å | ||
| 105 | L | 91.4 | Very high | 88.1 | Confident | 93 Ų | 93 | 71 Ų | 71 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | trans | -53.6 | 129.8 | 174.3 | -175.9 | 68.1 | 0 | 0 | 0 | 110.3 | K99 C100 C103 L107 | K99-L105 CarbonylContact C-O 3.57Å; K99-L105 WeakPolarHBondContact CA-O 3.44Å; K99-L105 WeakPolarHBondContact CB-O 3.45Å; C100-L105 PolarHBondContact N-O 2.88Å; C103-L105 PolarHBondContact O-N 2.8Å; C103-L105 WeakPolarHBondContact SG-CB 3.34Å; L105-L107 HydrophobicContact CD2-CD2 4.46Å | ||
| 106 | A | 91.6 | Very high | 88 | Confident | 41 Ų | 41 | 72.1 Ų | 72.1 | 34% | 0.339 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -67.6 | 129.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | K104 E108 | K104-A106 PolarHBondContact O-N 2.67Å; A106-E108 HydrophobicContact CB-CG 4.41Å |
| 107 | L | 89.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | trans | -101.6 | 16 | -176.4 | -57.8 | 177.2 | 0 | 0 | 0 | 112.1 | L98 C100 L105 S109 E110 C113 I120 C122 | L98-L107 HydrophobicContact CD2-CB 4.19Å; L98-L107 HydrophobicContact CG-CB 4.2Å; L98-L107 PolarHBondContact O-N 3.03Å; C100-L107 HydrophobicContact CB-CD1 4.47Å; L105-L107 HydrophobicContact CD2-CD2 4.46Å; L107-S109 VanDerWaalsContact C-N 3.28Å; L107-S109 PolarHBondContact O-N 2.88Å; L107-E110 HydrophobicContact CB-CB 4.42Å; L107-E110 HydrophobicContact CD2-CB 4.4Å; L107-E110 HydrophobicContact CD2-CG 4.08Å; L107-E110 PolarHBondContact O-N 3.1Å; L107-C113 HydrophobicContact CD1-CB 3.8Å; L107-I120 HydrophobicContact CD1-CG2 3.71Å; L107-C122 HydrophobicContact CD2-CB 3.76Å | ||
| 108 | E | 83.1 | Confident | 87.5 | Confident | 102 Ų | 102 | 70.6 Ų | 70.6 | 48% | 0.477 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -65.6 | -28.1 | 178.7 | 62.7 | 178.9 | -150.5 | 0 | 0 | 113.6 | L86 L95 A106 | L86-E108 HydrophobicContact CD1-CB 4.21Å; L95-E108 HydrophobicContact CB-CB 4.26Å; L95-E108 WeakPolarHBondContact CB-OE2 3.17Å; A106-E108 HydrophobicContact CB-CG 4.41Å |
| 109 | S | 79.6 | Confident | 87.4 | Confident | 93 Ų | 93 | 72.5 Ų | 72.5 | 65% | 0.65 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -87.7 | -16.8 | 174.9 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | L107 | L107-S109 VanDerWaalsContact C-N 3.28Å; L107-S109 PolarHBondContact O-N 2.88Å |
| 110 | E | 76.4 | Confident | 87.3 | Confident | 97 Ų | 97 | 67.8 Ų | 67.8 | 45% | 0.453 | 39% | 0.393 | S | S | . | . | trans | -88.1 | 118.9 | -175.5 | -69.3 | -59.4 | 131.5 | 0 | 0 | 110.4 | L107 T112 | L107-E110 HydrophobicContact CB-CB 4.42Å; L107-E110 HydrophobicContact CD2-CB 4.4Å; L107-E110 HydrophobicContact CD2-CG 4.08Å; L107-E110 PolarHBondContact O-N 3.1Å; E110-T112 PolarHBondContact O-N 2.81Å; E110-T112 VanDerWaalsContact O-N 3.1Å | ||
| 111 | L | 71.8 | Confident | 87.2 | Confident | 141 Ų | 141 | 68.7 Ų | 68.7 | 74% | 0.738 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -63.1 | -16.2 | 178 | -73.9 | 146.4 | 0 | 0 | 0 | 113.5 | ||
| 112 | T | 80.7 | Confident | 87.2 | Confident | 81 Ų | 81 | 67.6 Ų | 67.6 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | trans | -140 | 127.3 | -178.3 | 58.8 | 0 | 0 | 0 | 0 | 110.9 | E110 | E110-T112 PolarHBondContact O-N 2.81Å; E110-T112 VanDerWaalsContact O-N 3.1Å | ||
| 113 | C | 88.4 | Confident | 87 | Confident | 39 Ų | 39 | 71 Ų | 71 | 26% | 0.264 | 40% | 0.403 | S | S | . | . | trans | -114.4 | 156.6 | 165.2 | 62.4 | 0 | 0 | 0 | 0 | 109.8 | L107 I120 | L107-C113 HydrophobicContact CD1-CB 3.8Å; C113-I120 HydrophobicContact CB-CG2 3.92Å | ||
| 114 | F | 90.3 | Very high | 86.7 | Confident | 49 Ų | 49 | 73.8 Ų | 73.8 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 146.6 | 179.6 | -66.9 | -97.5 | 0 | 0 | 0 | 110 | I120 Y121 K123 Y126 Y127 | F114-I120 CarbonylContact O-C 3.59Å; F114-I120 WeakPolarHBondContact O-CA 3.47Å; F114-Y121 PolarHBondContact N-O 2.88Å; F114-Y121 PolarHBondContact O-N 2.88Å; F114-K123 HydrophobicContact CD2-CB 4.28Å; F114-K123 HydrophobicContact CE2-CB 3.8Å; F114-K123 HydrophobicContact CE2-CG 3.87Å; F114-K123 HydrophobicContact CZ-CG 4.42Å; F114-Y126 HydrophobicContact CB-CD1 3.94Å; F114-Y126 HydrophobicContact CB-CD2 3.38Å; F114-Y126 HydrophobicContact CB-CE1 4.42Å; F114-Y126 HydrophobicContact CB-CE2 3.9Å; F114-Y126 HydrophobicContact CB-CG 3.39Å; F114-Y126 AromaticContact CD1-CD1 3.61Å; F114-Y126 HydrophobicContact CD1-CD1 3.61Å; F114-Y126 HydrophobicContact CD1-CD2 4.49Å; F114-Y126 AromaticContact CD1-CE1 3.75Å; F114-Y126 HydrophobicContact CD1-CE1 3.75Å; F114-Y126 HydrophobicContact CD1-CG 4.01Å; F114-Y126 HydrophobicContact CE1-CD1 4.31Å; F114-Y126 HydrophobicContact CE1-CE1 4.45Å; F114-Y126 AromaticContact CG-CD1 3.81Å; F114-Y126 HydrophobicContact CG-CD1 3.81Å; F114-Y126 HydrophobicContact CG-CD2 4.19Å; F114-Y126 HydrophobicContact CG-CE1 4.34Å; F114-Y126 AromaticContact CG-CG 3.74Å; F114-Y126 HydrophobicContact CG-CG 3.74Å; F114-Y127 HydrophobicContact CE1-CE2 4.42Å; F114-Y127 HydrophobicContact CZ-CE2 4.11Å |
| 115 | A | 91.2 | Very high | 86.5 | Confident | 40 Ų | 40 | 68.2 Ų | 68.2 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111 | V89 S119 I120 | V89-A115 HydrophobicContact CB-CB 4.47Å; V89-A115 HydrophobicContact CG1-CB 4.09Å; V89-A115 HydrophobicContact CG2-CB 3.51Å; A115-S119 WeakPolarHBondContact CA-O 3.16Å; A115-I120 HydrophobicContact CB-CD1 4Å |
| 116 | K | 88.3 | Confident | 86.4 | Confident | 87 Ų | 87 | 66.3 Ų | 66.3 | 38% | 0.378 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 129 | 174.5 | -168.1 | 66.9 | -170.6 | 177 | 0 | 108.9 | G118 S119 Y121 Y126 F130 | K116-G118 PolarHBondContact O-N 3.03Å; K116-G118 VanDerWaalsContact O-N 3.11Å; K116-S119 PolarHBondContact N-O 3.42Å; K116-S119 WeakPolarHBondContact O-CA 3.37Å; K116-S119 WeakPolarHBondContact O-CB 3.34Å; K116-S119 PolarHBondContact O-N 2.94Å; K116-Y121 HydrophobicContact CB-CD2 4.31Å; K116-Y121 HydrophobicContact CB-CE2 3.89Å; K116-Y126 HydrophobicContact CB-CE2 4.14Å; K116-F130 HydrophobicContact CB-CD2 4.44Å; K116-F130 HydrophobicContact CB-CE2 3.97Å; K116-F130 HydrophobicContact CB-CZ 4.03Å; K116-F130 HydrophobicContact CG-CD1 4.27Å; K116-F130 HydrophobicContact CG-CE1 3.93Å; K116-F130 HydrophobicContact CG-CE2 4.2Å; K116-F130 HydrophobicContact CG-CZ 3.89Å |
| 117 | D | 86.8 | Confident | 86.1 | Confident | 138 Ų | 138 | 69.2 Ų | 69.2 | 74% | 0.738 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 41.2 | 173.5 | -46.3 | -28.2 | 0 | 0 | 0 | 113.2 | S119 | D117-S119 VanDerWaalsContact C-N 3.26Å; D117-S119 PolarHBondContact O-N 2.94Å |
| 118 | G | 83.9 | Confident | 85.8 | Confident | 74 Ų | 74 | 75.1 Ų | 75.1 | 76% | 0.763 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -8.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | K116 | K116-G118 PolarHBondContact O-N 3.03Å; K116-G118 VanDerWaalsContact O-N 3.11Å |
| 119 | S | 90.2 | Very high | 85.7 | Confident | 47 Ų | 47 | 76.9 Ų | 76.9 | 33% | 0.329 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 142.7 | 178.7 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | A115 K116 D117 Y121 | A115-S119 WeakPolarHBondContact CA-O 3.16Å; K116-S119 PolarHBondContact N-O 3.42Å; K116-S119 WeakPolarHBondContact O-CA 3.37Å; K116-S119 WeakPolarHBondContact O-CB 3.34Å; K116-S119 PolarHBondContact O-N 2.94Å; D117-S119 VanDerWaalsContact C-N 3.26Å; D117-S119 PolarHBondContact O-N 2.94Å; S119-Y121 WeakPolarHBondContact O-CD2 3.41Å; S119-Y121 WeakPolarHBondContact O-CE2 3.41Å |
| 120 | I | 91.1 | Very high | 85.8 | Confident | 8 Ų | 8 | 75.7 Ų | 75.7 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 136.1 | 178.2 | -55.4 | -61.1 | 0 | 0 | 0 | 110.5 | V89 W93 L98 C101 L107 C113 F114 A115 | V89-I120 HydrophobicContact CG2-CD1 3.58Å; W93-I120 HydrophobicContact CH2-CG1 3.78Å; W93-I120 HydrophobicContact CZ2-CD1 4.23Å; W93-I120 HydrophobicContact CZ2-CG1 3.77Å; L98-I120 HydrophobicContact CD1-CG1 4.38Å; L98-I120 HydrophobicContact CD1-CG2 4.21Å; C101-I120 PolarHBondContact N-O 3.41Å; C101-I120 PolarHBondContact SG-O 3.11Å; L107-I120 HydrophobicContact CD1-CG2 3.71Å; C113-I120 HydrophobicContact CB-CG2 3.92Å; F114-I120 CarbonylContact O-C 3.59Å; F114-I120 WeakPolarHBondContact O-CA 3.47Å; A115-I120 HydrophobicContact CB-CD1 4Å |
| 121 | Y | 91.1 | Very high | 86 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 8% | 0.075 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 146.2 | -178.2 | -62.4 | -93.3 | 0 | 0 | 0 | 110.9 | C101 E102 F114 K116 S119 D125 Y126 F130 | C101-Y121 WeakPolarHBondContact SG-CE1 3.5Å; E102-Y121 HydrophobicContact CG-CD1 3.83Å; E102-Y121 HydrophobicContact CG-CE1 3.68Å; F114-Y121 PolarHBondContact N-O 2.88Å; F114-Y121 PolarHBondContact O-N 2.88Å; K116-Y121 HydrophobicContact CB-CD2 4.31Å; K116-Y121 HydrophobicContact CB-CE2 3.89Å; S119-Y121 WeakPolarHBondContact O-CD2 3.41Å; S119-Y121 WeakPolarHBondContact O-CE2 3.41Å; Y121-D125 HydrophobicContact CD1-CB 4.47Å; Y121-Y126 HydrophobicContact CD2-CD2 4.28Å; Y121-Y126 HydrophobicContact CG-CD2 4.35Å; Y121-F130 AromaticContact CD1-CE2 3.99Å; Y121-F130 HydrophobicContact CD1-CE2 3.99Å; Y121-F130 AromaticContact CD2-CE2 3.93Å; Y121-F130 HydrophobicContact CD2-CE2 3.93Å; Y121-F130 AromaticContact CE1-CE2 3.7Å; Y121-F130 HydrophobicContact CE1-CE2 3.7Å; Y121-F130 HydrophobicContact CE1-CZ 4.04Å; Y121-F130 AromaticContact CE2-CE2 3.65Å; Y121-F130 HydrophobicContact CE2-CE2 3.65Å; Y121-F130 AromaticContact CE2-CZ 3.97Å; Y121-F130 HydrophobicContact CE2-CZ 3.97Å; Y121-F130 HydrophobicContact CG-CE2 4.12Å; Y121-F130 AromaticContact CZ-CE2 3.56Å; Y121-F130 AromaticContact CZ-CZ 3.63Å |
| 122 | C | 90.6 | Very high | 86.1 | Confident | 12 Ų | 12 | 71.5 Ų | 71.5 | 8% | 0.081 | 37% | 0.37 | C | S | . | . | trans | -69 | 162.5 | 162.7 | 75.5 | 0 | 0 | 0 | 0 | 109.1 | C100 L107 E124 D125 Y126 | C100-C122 HydrophobicContact CB-CB 3.98Å; C100-C122 PolarHBondContact SG-N 3.42Å; L107-C122 HydrophobicContact CD2-CB 3.76Å; C122-E124 VanDerWaalsContact C-N 3.27Å; C122-E124 PolarHBondContact O-N 3.4Å; C122-D125 PolarHBondContact O-N 2.94Å; C122-D125 PolarHBondContact SG-N 3.28Å; C122-D125 PolarHBondContact SG-OD2 2.76Å; C122-Y126 VanDerWaalsContact O-CB 3.26Å; C122-Y126 WeakPolarHBondContact O-CB 3.48Å; C122-Y126 PolarHBondContact O-N 3.03Å | ||
| 123 | K | 86.9 | Confident | 86.3 | Confident | 127 Ų | 127 | 71.6 Ų | 71.6 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -50.7 | -47.9 | 177.3 | -176 | -179.1 | 177.4 | -176.8 | 0 | 112.1 | F114 Y127 | F114-K123 HydrophobicContact CD2-CB 4.28Å; F114-K123 HydrophobicContact CE2-CB 3.8Å; F114-K123 HydrophobicContact CE2-CG 3.87Å; F114-K123 HydrophobicContact CZ-CG 4.42Å; K123-Y127 HydrophobicContact CG-CD2 3.94Å; K123-Y127 HydrophobicContact CG-CE2 3.87Å; K123-Y127 WeakPolarHBondContact O-CD2 3.35Å; K123-Y127 PolarHBondContact O-N 3.21Å; K123-Y127 VanDerWaalsContact O-N 3.14Å |
| 124 | E | 86.6 | Confident | 86.3 | Confident | 125 Ų | 125 | 75.2 Ų | 75.2 | 58% | 0.584 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.7 | -51 | -174.5 | -165.6 | -178.9 | 156.2 | 0 | 0 | 112.5 | C122 Y126 Y127 R128 | C122-E124 VanDerWaalsContact C-N 3.27Å; C122-E124 PolarHBondContact O-N 3.4Å; E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 PolarHBondContact O-N 2.91Å; E124-Y127 PolarHBondContact O-N 3.38Å; E124-R128 WeakPolarHBondContact O-CB 3.49Å; E124-R128 PolarHBondContact O-N 2.97Å; E124-R128 IonicContact OE1-CZ 3.61Å; E124-R128 IonicContact OE1-NE 3.53Å; E124-R128 IonicContact OE1-NH2 3.52Å; E124-R128 PolarHBondContact OE1-NH2 3.38Å |
| 125 | D | 88.1 | Confident | 86.4 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.2 | -35 | 179.7 | -74.2 | -37.8 | 0 | 0 | 0 | 112.2 | C100 E102 C103 Y121 C122 R128 R129 | C100-D125 PolarHBondContact SG-OD2 2.9Å; C100-D125 VanDerWaalsContact SG-OD2 3.35Å; E102-D125 HydrophobicContact CB-CB 4.06Å; E102-D125 WeakPolarHBondContact CB-OD2 3.31Å; E102-D125 HydrophobicContact CG-CB 4.19Å; C103-D125 VanDerWaalsContact CB-OD2 3.26Å; C103-D125 WeakPolarHBondContact CB-OD2 3.16Å; C103-D125 PolarHBondContact N-OD2 3.45Å; C103-D125 PolarHBondContact SG-OD2 2.71Å; Y121-D125 HydrophobicContact CD1-CB 4.47Å; C122-D125 PolarHBondContact O-N 2.94Å; C122-D125 PolarHBondContact SG-N 3.28Å; C122-D125 PolarHBondContact SG-OD2 2.76Å; D125-R128 PolarHBondContact O-N 2.92Å; D125-R129 WeakPolarHBondContact O-CB 3.37Å; D125-R129 PolarHBondContact O-N 2.8Å |
| 126 | Y | 89.4 | Confident | 86.4 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 21% | 0.212 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.9 | -52.2 | 174 | -175 | -96.4 | 0 | 0 | 0 | 111.3 | F114 K116 Y121 C122 E124 R129 F130 | F114-Y126 HydrophobicContact CB-CD1 3.94Å; F114-Y126 HydrophobicContact CB-CD2 3.38Å; F114-Y126 HydrophobicContact CB-CE1 4.42Å; F114-Y126 HydrophobicContact CB-CE2 3.9Å; F114-Y126 HydrophobicContact CB-CG 3.39Å; F114-Y126 AromaticContact CD1-CD1 3.61Å; F114-Y126 HydrophobicContact CD1-CD1 3.61Å; F114-Y126 HydrophobicContact CD1-CD2 4.49Å; F114-Y126 AromaticContact CD1-CE1 3.75Å; F114-Y126 HydrophobicContact CD1-CE1 3.75Å; F114-Y126 HydrophobicContact CD1-CG 4.01Å; F114-Y126 HydrophobicContact CE1-CD1 4.31Å; F114-Y126 HydrophobicContact CE1-CE1 4.45Å; F114-Y126 AromaticContact CG-CD1 3.81Å; F114-Y126 HydrophobicContact CG-CD1 3.81Å; F114-Y126 HydrophobicContact CG-CD2 4.19Å; F114-Y126 HydrophobicContact CG-CE1 4.34Å; F114-Y126 AromaticContact CG-CG 3.74Å; F114-Y126 HydrophobicContact CG-CG 3.74Å; K116-Y126 HydrophobicContact CB-CE2 4.14Å; Y121-Y126 HydrophobicContact CD2-CD2 4.28Å; Y121-Y126 HydrophobicContact CG-CD2 4.35Å; C122-Y126 VanDerWaalsContact O-CB 3.26Å; C122-Y126 WeakPolarHBondContact O-CB 3.48Å; C122-Y126 PolarHBondContact O-N 3.03Å; E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 PolarHBondContact O-N 2.91Å; Y126-R129 PolarHBondContact O-N 3.18Å; Y126-F130 AromaticContact CD2-CD2 3.54Å; Y126-F130 HydrophobicContact CD2-CD2 3.54Å; Y126-F130 HydrophobicContact CD2-CE2 4.07Å; Y126-F130 AromaticContact CE2-CD2 3.8Å; Y126-F130 HydrophobicContact CE2-CD2 3.8Å; Y126-F130 HydrophobicContact CE2-CE2 4.44Å; Y126-F130 HydrophobicContact CE2-CG 4.46Å; Y126-F130 HydrophobicContact CG-CD2 4.11Å; Y126-F130 WeakPolarHBondContact O-CA 3.45Å; Y126-F130 WeakPolarHBondContact O-CB 2.98Å; Y126-F130 WeakPolarHBondContact O-CD2 3.47Å; Y126-F130 PolarHBondContact O-N 2.95Å |
| 127 | Y | 84.8 | Confident | 86.6 | Confident | 102 Ų | 102 | 72.6 Ų | 72.6 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.4 | -35.3 | 176.3 | -73.7 | -66.1 | 0 | 0 | 0 | 112.1 | F114 K123 E124 R129 S131 | F114-Y127 HydrophobicContact CE1-CE2 4.42Å; F114-Y127 HydrophobicContact CZ-CE2 4.11Å; K123-Y127 HydrophobicContact CG-CD2 3.94Å; K123-Y127 HydrophobicContact CG-CE2 3.87Å; K123-Y127 WeakPolarHBondContact O-CD2 3.35Å; K123-Y127 PolarHBondContact O-N 3.21Å; K123-Y127 VanDerWaalsContact O-N 3.14Å; E124-Y127 PolarHBondContact O-N 3.38Å; Y127-R129 VanDerWaalsContact C-N 3.3Å; Y127-R129 PolarHBondContact O-N 2.81Å; Y127-S131 WeakPolarHBondContact O-CA 3.19Å; Y127-S131 WeakPolarHBondContact O-CB 3.44Å; Y127-S131 PolarHBondContact O-N 3.36Å; Y127-S131 PolarHBondContact O-OG 3.32Å |
| 128 | R | 82.2 | Confident | 86.8 | Confident | 126 Ų | 126 | 68.3 Ų | 68.3 | 48% | 0.475 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.4 | -33.6 | 178.5 | -172.8 | -173.5 | -71.3 | -155.8 | 0.3 | 112.7 | E124 D125 R134 | E124-R128 WeakPolarHBondContact O-CB 3.49Å; E124-R128 PolarHBondContact O-N 2.97Å; E124-R128 IonicContact OE1-CZ 3.61Å; E124-R128 IonicContact OE1-NE 3.53Å; E124-R128 IonicContact OE1-NH2 3.52Å; E124-R128 PolarHBondContact OE1-NH2 3.38Å; D125-R128 PolarHBondContact O-N 2.92Å; R128-R134 PolarHBondContact O-NH1 2.7Å |
| 129 | R | 80.5 | Confident | 87 | Confident | 138 Ų | 138 | 70.5 Ų | 70.5 | 52% | 0.521 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -94.1 | -43.2 | 178.1 | -70.5 | -169.8 | 167 | -145.5 | -6.2 | 113.8 | E102 D125 Y126 Y127 | E102-R129 VanDerWaalsContact CD-NH2 3.33Å; E102-R129 IonicContact OE1-CZ 3.03Å; E102-R129 IonicContact OE1-NE 3.96Å; E102-R129 PolarHBondContact OE1-NE 3.47Å; E102-R129 IonicContact OE1-NH1 2.67Å; E102-R129 PolarHBondContact OE1-NH1 2.99Å; E102-R129 IonicContact OE1-NH2 3.58Å; E102-R129 IonicContact OE2-CZ 2.99Å; E102-R129 IonicContact OE2-NE 2.66Å; E102-R129 IonicContact OE2-NH1 3.35Å; E102-R129 PolarHBondContact OE2-NH1 3.18Å; E102-R129 IonicContact OE2-NH2 2.71Å; E102-R129 PolarHBondContact OE2-NH2 3.47Å; D125-R129 WeakPolarHBondContact O-CB 3.37Å; D125-R129 PolarHBondContact O-N 2.8Å; Y126-R129 PolarHBondContact O-N 3.18Å; Y127-R129 VanDerWaalsContact C-N 3.3Å; Y127-R129 PolarHBondContact O-N 2.81Å |
| 130 | F | 83.6 | Confident | 86.9 | Confident | 69 Ų | 69 | 73.2 Ų | 73.2 | 30% | 0.303 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -111.8 | 12.2 | -169.4 | -47.8 | -68.6 | 0 | 0 | 0 | 114.3 | K116 Y121 Y126 V132 | K116-F130 HydrophobicContact CB-CD2 4.44Å; K116-F130 HydrophobicContact CB-CE2 3.97Å; K116-F130 HydrophobicContact CB-CZ 4.03Å; K116-F130 HydrophobicContact CG-CD1 4.27Å; K116-F130 HydrophobicContact CG-CE1 3.93Å; K116-F130 HydrophobicContact CG-CE2 4.2Å; K116-F130 HydrophobicContact CG-CZ 3.89Å; Y121-F130 AromaticContact CD1-CE2 3.99Å; Y121-F130 HydrophobicContact CD1-CE2 3.99Å; Y121-F130 AromaticContact CD2-CE2 3.93Å; Y121-F130 HydrophobicContact CD2-CE2 3.93Å; Y121-F130 AromaticContact CE1-CE2 3.7Å; Y121-F130 HydrophobicContact CE1-CE2 3.7Å; Y121-F130 HydrophobicContact CE1-CZ 4.04Å; Y121-F130 AromaticContact CE2-CE2 3.65Å; Y121-F130 HydrophobicContact CE2-CE2 3.65Å; Y121-F130 AromaticContact CE2-CZ 3.97Å; Y121-F130 HydrophobicContact CE2-CZ 3.97Å; Y121-F130 HydrophobicContact CG-CE2 4.12Å; Y121-F130 AromaticContact CZ-CE2 3.56Å; Y121-F130 AromaticContact CZ-CZ 3.63Å; Y126-F130 AromaticContact CD2-CD2 3.54Å; Y126-F130 HydrophobicContact CD2-CD2 3.54Å; Y126-F130 HydrophobicContact CD2-CE2 4.07Å; Y126-F130 AromaticContact CE2-CD2 3.8Å; Y126-F130 HydrophobicContact CE2-CD2 3.8Å; Y126-F130 HydrophobicContact CE2-CE2 4.44Å; Y126-F130 HydrophobicContact CE2-CG 4.46Å; Y126-F130 HydrophobicContact CG-CD2 4.11Å; Y126-F130 WeakPolarHBondContact O-CA 3.45Å; Y126-F130 WeakPolarHBondContact O-CB 2.98Å; Y126-F130 WeakPolarHBondContact O-CD2 3.47Å; Y126-F130 PolarHBondContact O-N 2.95Å; F130-V132 PolarHBondContact O-N 3.36Å |
| 131 | S | 79.2 | Confident | 86.7 | Confident | 17 Ų | 17 | 74.1 Ų | 74.1 | 12% | 0.119 | 35% | 0.35 | C | S | . | . | trans | -59 | 120.9 | 167.7 | 44.6 | 0 | 0 | 0 | 0 | 110.3 | Y127 Q133 G141 | Y127-S131 WeakPolarHBondContact O-CA 3.19Å; Y127-S131 WeakPolarHBondContact O-CB 3.44Å; Y127-S131 PolarHBondContact O-N 3.36Å; Y127-S131 PolarHBondContact O-OG 3.32Å; S131-Q133 PolarHBondContact O-N 3.48Å; S131-G141 VanDerWaalsContact OG-CA 3.22Å; S131-G141 WeakPolarHBondContact OG-CA 3.43Å | ||
| 132 | V | 74.8 | Confident | 86.6 | Confident | 133 Ų | 133 | 74.1 Ų | 74.1 | 81% | 0.806 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -63.2 | -21.9 | 178.7 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | F130 | F130-V132 PolarHBondContact O-N 3.36Š|
| 133 | Q | 84 | Confident | 86.3 | Confident | 83 Ų | 83 | 76 Ų | 76 | 39% | 0.388 | 36% | 0.364 | S | S | . | . | trans | -132.1 | 123.3 | -178.7 | -63 | -62.8 | -29.9 | 0 | 0 | 110.2 | S131 I142 | S131-Q133 PolarHBondContact O-N 3.48Å; Q133-I142 PolarHBondContact O-N 2.78Å | ||
| 134 | R | 89.5 | Confident | 86.1 | Confident | 114 Ų | 114 | 75.3 Ų | 75.3 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -112.7 | 143.7 | 175.3 | -56.2 | -178.6 | 79.3 | 105.3 | 3.2 | 109.3 | R128 A136 H139 L140 | R128-R134 PolarHBondContact O-NH1 2.7Å; R134-A136 PolarHBondContact O-N 3.11Å; R134-H139 VanDerWaalsContact CZ-O 3.22Å; R134-H139 PolarHBondContact NE-O 2.66Å; R134-H139 PolarHBondContact NH2-O 3.06Å; R134-L140 CarbonylContact C-O 3.6Å; R134-L140 WeakPolarHBondContact CA-O 3.43Å |
| 135 | C | 91.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 39% | 0.393 | C | S | . | . | trans | -65.7 | 122.4 | 174.7 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | R137 C138 H139 L140 I142 V155 H157 C160 | C135-R137 PolarHBondContact O-N 3.13Å; C135-R137 VanDerWaalsContact O-N 3.1Å; C135-C138 VanDerWaalsContact CB-SG 3.59Å; C135-H139 WeakPolarHBondContact O-CA 3.18Å; C135-H139 PolarHBondContact O-N 2.96Å; C135-L140 PolarHBondContact N-O 3.42Å; C135-I142 HydrophobicContact CB-CD1 4.31Å; C135-I142 HydrophobicContact CB-CG1 4.24Å; C135-V155 CarbonylContact C-O 3.58Å; C135-V155 WeakPolarHBondContact CA-O 3.26Å; C135-H157 VanDerWaalsContact CB-CE1 3.47Å; C135-H157 WeakPolarHBondContact CB-CE1 3.22Å; C135-C160 WeakPolarHBondContact SG-CB 3.41Å | ||
| 136 | A | 92.1 | Very high | 86 | Confident | 34 Ų | 34 | 77.8 Ų | 77.8 | 28% | 0.281 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R134 H139 V155 Y156 | R134-A136 PolarHBondContact O-N 3.11Å; A136-H139 PolarHBondContact O-CE1 2.84Å; A136-H139 VanDerWaalsContact O-CE1 3.28Å; A136-V155 PolarHBondContact N-O 2.95Å; A136-Y156 HydrophobicContact CB-CD1 4.25Å; A136-Y156 HydrophobicContact CB-CE1 3.7Å; A136-Y156 HydrophobicContact CB-CE2 4.39Å |
| 137 | R | 91.9 | Very high | 86.1 | Confident | 87 Ų | 87 | 82.3 Ų | 82.3 | 33% | 0.328 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -39.4 | 178.7 | 179.9 | 62.3 | 172.9 | -161.9 | -1.9 | 114.9 | C135 Y156 C160 T164 | C135-R137 PolarHBondContact O-N 3.13Å; C135-R137 VanDerWaalsContact O-N 3.1Å; R137-Y156 HydrophobicContact CB-CD1 3.9Å; R137-Y156 HydrophobicContact CB-CE1 4.2Å; R137-C160 HydrophobicContact CB-CB 4.06Å; R137-C160 HydrophobicContact CG-CB 4.28Å; R137-T164 PolarHBondContact NH1-OG1 3.48Å; R137-T164 VanDerWaalsContact NH1-OG1 3.08Å |
| 138 | C | 91.4 | Very high | 86.5 | Confident | 48 Ų | 48 | 79.8 Ų | 79.8 | 32% | 0.324 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -2.6 | -178.9 | 70.1 | 0 | 0 | 0 | 0 | 114 | C135 L140 H157 C160 | C135-C138 VanDerWaalsContact CB-SG 3.59Å; C138-L140 PolarHBondContact O-N 2.81Å; C138-H157 PolarHBondContact SG-CE1 3.28Å; C138-H157 PolarHBondContact SG-ND1 3.14Å; C138-H157 VanDerWaalsContact SG-ND1 3.41Å; C138-C160 VanDerWaalsContact SG-SG 3.67Å |
| 139 | H | 88.3 | Confident | 87 | Confident | 121 Ų | 121 | 75.4 Ų | 75.4 | 56% | 0.56 | 41% | 0.411 | S | S | * | . | trans | 57.4 | 9 | 178.4 | -48.6 | -58.6 | 0 | 0 | 0 | 116.1 | R134 C135 A136 | R134-H139 VanDerWaalsContact CZ-O 3.22Å; R134-H139 PolarHBondContact NE-O 2.66Å; R134-H139 PolarHBondContact NH2-O 3.06Å; C135-H139 WeakPolarHBondContact O-CA 3.18Å; C135-H139 PolarHBondContact O-N 2.96Å; A136-H139 PolarHBondContact O-CE1 2.84Å; A136-H139 VanDerWaalsContact O-CE1 3.28Å | ||
| 140 | L | 87.8 | Confident | 87.6 | Confident | 104 Ų | 104 | 76.8 Ų | 76.8 | 55% | 0.545 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 152.3 | 170.2 | -60.2 | 177.4 | 0 | 0 | 0 | 110.8 | R134 C135 C138 | R134-L140 CarbonylContact C-O 3.6Å; R134-L140 WeakPolarHBondContact CA-O 3.43Å; C135-L140 PolarHBondContact N-O 3.42Å; C138-L140 PolarHBondContact O-N 2.81Å |
| 141 | G | 87.4 | Confident | 88 | Confident | 27 Ų | 27 | 73.5 Ų | 73.5 | 28% | 0.278 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -71.5 | 135.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S131 | S131-G141 VanDerWaalsContact OG-CA 3.22Å; S131-G141 WeakPolarHBondContact OG-CA 3.43Å |
| 142 | I | 88.1 | Confident | 88.4 | Confident | 19 Ų | 19 | 80 Ų | 80 | 10% | 0.097 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 135.4 | -179.3 | -51.6 | -176.9 | 0 | 0 | 0 | 109.5 | Q133 C135 E146 V148 V155 | Q133-I142 PolarHBondContact O-N 2.78Å; C135-I142 HydrophobicContact CB-CD1 4.31Å; C135-I142 HydrophobicContact CB-CG1 4.24Å; I142-E146 HydrophobicContact CG2-CB 4.41Å; I142-E146 HydrophobicContact CG2-CG 4.48Å; I142-V148 HydrophobicContact CD1-CG1 3.91Å; I142-V148 HydrophobicContact CG2-CG1 3.48Å; I142-V148 VanDerWaalsContact CG2-CG1 3.48Å; I142-V155 HydrophobicContact CD1-CB 3.97Å; I142-V155 HydrophobicContact CD1-CG1 3.48Å; I142-V155 VanDerWaalsContact CD1-CG1 3.48Å |
| 143 | S | 84.3 | Confident | 89.1 | Confident | 51 Ų | 51 | 81.3 Ų | 81.3 | 36% | 0.357 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 146.1 | 176.9 | 78.4 | 0 | 0 | 0 | 0 | 112.4 | S145 E146 | S143-S145 PolarHBondContact O-N 3.28Å; S143-S145 VanDerWaalsContact O-N 3.14Å; S143-S145 PolarHBondContact OG-OG 3.4Å; S143-E146 WeakPolarHBondContact O-CB 3.47Å; S143-E146 PolarHBondContact O-N 2.99Å; S143-E146 WeakPolarHBondContact OG-CB 3.35Å; S143-E146 PolarHBondContact OG-N 3.49Å |
| 144 | A | 82.4 | Confident | 89.5 | Confident | 113 Ų | 113 | 78.4 Ų | 78.4 | 93% | 0.934 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 145 | S | 82.9 | Confident | 89.6 | Confident | 115 Ų | 115 | 73.4 Ų | 73.4 | 80% | 0.804 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -11 | 175.7 | 46.7 | 0 | 0 | 0 | 0 | 114 | S143 | S143-S145 PolarHBondContact O-N 3.28Å; S143-S145 VanDerWaalsContact O-N 3.14Å; S143-S145 PolarHBondContact OG-OG 3.4Å |
| 146 | E | 89.3 | Confident | 89.7 | Confident | 79 Ų | 79 | 73.6 Ų | 73.6 | 37% | 0.369 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -87.9 | 137.1 | -175.6 | 176.6 | 173.5 | -170.8 | 0 | 0 | 111.3 | I142 S143 H157 | I142-E146 HydrophobicContact CG2-CB 4.41Å; I142-E146 HydrophobicContact CG2-CG 4.48Å; S143-E146 WeakPolarHBondContact O-CB 3.47Å; S143-E146 PolarHBondContact O-N 2.99Å; S143-E146 WeakPolarHBondContact OG-CB 3.35Å; S143-E146 PolarHBondContact OG-N 3.49Å; E146-H157 IonicContact OE1-CD2 3.47Å; E146-H157 PolarHBondContact OE1-CD2 3.23Å; E146-H157 IonicContact OE1-CG 3.66Å; E146-H157 IonicContact OE2-CD2 3.63Å; E146-H157 IonicContact OE2-NE2 3.45Å |
| 147 | M | 91.1 | Very high | 89.8 | Confident | 149 Ų | 149 | 72.7 Ų | 72.7 | 73% | 0.734 | 39% | 0.388 | S | S | * | . | trans | -70.7 | 143.2 | 172.7 | -65.1 | -172.3 | 71.3 | 0 | 0 | 110 | L158 | M147-L158 VanDerWaalsContact C-CD1 3.46Å; M147-L158 HydrophobicContact CB-CD1 3.93Å; M147-L158 WeakPolarHBondContact O-CD1 3.47Å | ||
| 148 | V | 93.6 | Very high | 89.9 | Confident | 48 Ų | 48 | 72.5 Ų | 72.5 | 29% | 0.291 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.9 | -177.4 | -67 | 0 | 0 | 0 | 0 | 112 | I142 R150 V155 Y156 | I142-V148 HydrophobicContact CD1-CG1 3.91Å; I142-V148 HydrophobicContact CG2-CG1 3.48Å; I142-V148 VanDerWaalsContact CG2-CG1 3.48Å; V148-R150 HydrophobicContact CG2-CG 4.14Å; V148-V155 HydrophobicContact CB-CG1 3.59Å; V148-V155 HydrophobicContact CG1-CG1 3.73Å; V148-V155 HydrophobicContact CG2-CG1 3.85Å; V148-Y156 WeakPolarHBondContact CA-O 3.15Å |
| 149 | M | 93.4 | Very high | 90.1 | Very high | 34 Ų | 34 | 74.4 Ų | 74.4 | 17% | 0.167 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 134.8 | 159.1 | -160 | 65 | 70 | 0 | 0 | 109 | Y156 F161 | M149-Y156 PolarHBondContact N-O 3.14Å; M149-Y156 PolarHBondContact O-N 3.04Å; M149-F161 HydrophobicContact CB-CB 3.95Å; M149-F161 HydrophobicContact CB-CD1 4.29Å; M149-F161 HydrophobicContact CB-CD2 3.82Å; M149-F161 HydrophobicContact CB-CE2 4.39Å; M149-F161 HydrophobicContact CB-CG 3.75Å; M149-F161 HydrophobicContact CE-CD1 4.23Å; M149-F161 HydrophobicContact CG-CB 4.25Å; M149-F161 HydrophobicContact CG-CD1 3.63Å; M149-F161 HydrophobicContact CG-CD2 3.63Å; M149-F161 HydrophobicContact CG-CE1 3.79Å; M149-F161 HydrophobicContact CG-CE2 3.77Å; M149-F161 HydrophobicContact CG-CG 3.55Å; M149-F161 HydrophobicContact CG-CZ 3.85Å |
| 150 | R | 93.1 | Very high | 90.4 | Very high | 167 Ų | 167 | 69.6 Ų | 69.6 | 63% | 0.63 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.2 | 174.2 | -69.5 | -178.2 | 174.5 | -115.6 | 2 | 109 | V148 V155 | V148-R150 HydrophobicContact CG2-CG 4.14Å; R150-V155 HydrophobicContact CG-CG1 4.27Å; R150-V155 HydrophobicContact CG-CG2 4.35Å |
| 151 | A | 90.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 113.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | D153 S154 Y156 F161 F176 M178 | A151-D153 PolarHBondContact O-N 3.14Å; A151-S154 PolarHBondContact N-O 3.41Å; A151-S154 PolarHBondContact O-N 3.33Å; A151-S154 VanDerWaalsContact O-N 3.16Å; A151-Y156 HydrophobicContact CB-CE2 4.34Å; A151-F161 HydrophobicContact CB-CE2 3.92Å; A151-F161 HydrophobicContact CB-CZ 4.22Å; A151-F176 HydrophobicContact CB-CE2 4.08Å; A151-F176 HydrophobicContact CB-CZ 4.05Å; A151-M178 HydrophobicContact CB-CE 3.47Å; A151-M178 VanDerWaalsContact CB-CE 3.47Å; A151-M178 HydrophobicContact CB-SD 4.5Å |
| 152 | R | 88.4 | Confident | 91.2 | Very high | 154 Ų | 154 | 64.4 Ų | 64.4 | 58% | 0.581 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | -131.8 | -163.3 | -56.4 | -178.1 | 179.8 | 173.1 | 1.6 | 109.7 | S154 M178 | R152-S154 VanDerWaalsContact C-N 3.3Å; R152-S154 PolarHBondContact O-N 3.31Å; R152-M178 HydrophobicContact CG-SD 4.28Å |
| 153 | D | 88.9 | Confident | 91.6 | Very high | 159 Ų | 159 | 63.5 Ų | 63.5 | 85% | 0.85 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -1.1 | -178.3 | -46.3 | -69.1 | 0 | 0 | 0 | 113.4 | A151 | A151-D153 PolarHBondContact O-N 3.14Š|
| 154 | S | 92.3 | Very high | 92.1 | Very high | 23 Ų | 23 | 63 Ų | 63 | 16% | 0.161 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.8 | -178.9 | -68.2 | 0 | 0 | 0 | 0 | 112.7 | A151 R152 Y156 | A151-S154 PolarHBondContact N-O 3.41Å; A151-S154 PolarHBondContact O-N 3.33Å; A151-S154 VanDerWaalsContact O-N 3.16Å; R152-S154 VanDerWaalsContact C-N 3.3Å; R152-S154 PolarHBondContact O-N 3.31Å; S154-Y156 VanDerWaalsContact CB-CE2 3.48Å; S154-Y156 WeakPolarHBondContact CB-OH 3.48Å |
| 155 | V | 92.8 | Very high | 92.7 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 5% | 0.048 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.9 | 177.8 | -165.2 | 0 | 0 | 0 | 0 | 109.8 | C135 A136 I142 V148 R150 | C135-V155 CarbonylContact C-O 3.58Å; C135-V155 WeakPolarHBondContact CA-O 3.26Å; A136-V155 PolarHBondContact N-O 2.95Å; I142-V155 HydrophobicContact CD1-CB 3.97Å; I142-V155 HydrophobicContact CD1-CG1 3.48Å; I142-V155 VanDerWaalsContact CD1-CG1 3.48Å; V148-V155 HydrophobicContact CB-CG1 3.59Å; V148-V155 HydrophobicContact CG1-CG1 3.73Å; V148-V155 HydrophobicContact CG2-CG1 3.85Å; R150-V155 HydrophobicContact CG-CG1 4.27Å; R150-V155 HydrophobicContact CG-CG2 4.35Å |
| 156 | Y | 93.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 146.4 | -177.4 | -54.3 | -103 | 0 | 0 | 0 | 110.2 | A136 R137 V148 M149 A151 S154 F161 M178 S181 V183 | A136-Y156 HydrophobicContact CB-CD1 4.25Å; A136-Y156 HydrophobicContact CB-CE1 3.7Å; A136-Y156 HydrophobicContact CB-CE2 4.39Å; R137-Y156 HydrophobicContact CB-CD1 3.9Å; R137-Y156 HydrophobicContact CB-CE1 4.2Å; V148-Y156 WeakPolarHBondContact CA-O 3.15Å; M149-Y156 PolarHBondContact N-O 3.14Å; M149-Y156 PolarHBondContact O-N 3.04Å; A151-Y156 HydrophobicContact CB-CE2 4.34Å; S154-Y156 VanDerWaalsContact CB-CE2 3.48Å; S154-Y156 WeakPolarHBondContact CB-OH 3.48Å; Y156-F161 HydrophobicContact CD1-CD2 4.29Å; Y156-F161 AromaticContact CD2-CD2 3.73Å; Y156-F161 HydrophobicContact CD2-CD2 3.73Å; Y156-F161 HydrophobicContact CD2-CE2 4.01Å; Y156-F161 HydrophobicContact CE2-CD2 4.31Å; Y156-F161 HydrophobicContact CE2-CE2 4.21Å; Y156-F161 AromaticContact CG-CD2 3.75Å; Y156-F161 HydrophobicContact CG-CD2 3.75Å; Y156-F161 HydrophobicContact CG-CE2 4.45Å; Y156-M178 HydrophobicContact CE2-CE 4.11Å; Y156-M178 WeakPolarHBondContact OH-CE 3.21Å; Y156-S181 PolarHBondContact OH-O 3.42Å; Y156-V183 HydrophobicContact CE1-CG2 4.14Å; Y156-V183 HydrophobicContact CE2-CG2 4.47Å |
| 157 | H | 94.4 | Very high | 93.6 | Very high | 15 Ų | 15 | 60.2 Ų | 60.2 | 7% | 0.069 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 151.2 | 160.4 | -48.6 | 126 | 0 | 0 | 0 | 109.5 | C135 C138 E146 S159 C160 F161 | C135-H157 VanDerWaalsContact CB-CE1 3.47Å; C135-H157 WeakPolarHBondContact CB-CE1 3.22Å; C138-H157 PolarHBondContact SG-CE1 3.28Å; C138-H157 PolarHBondContact SG-ND1 3.14Å; C138-H157 VanDerWaalsContact SG-ND1 3.41Å; E146-H157 IonicContact OE1-CD2 3.47Å; E146-H157 PolarHBondContact OE1-CD2 3.23Å; E146-H157 IonicContact OE1-CG 3.66Å; E146-H157 IonicContact OE2-CD2 3.63Å; E146-H157 IonicContact OE2-NE2 3.45Å; H157-S159 VanDerWaalsContact C-N 3.25Å; H157-S159 PolarHBondContact O-N 3.04Å; H157-C160 HydrophobicContact CB-CB 4.01Å; H157-C160 PolarHBondContact ND1-SG 3.35Å; H157-C160 VanDerWaalsContact ND1-SG 3.4Å; H157-C160 CarbonylContact O-C 3.6Å; H157-C160 WeakPolarHBondContact O-CA 3.18Å; H157-C160 PolarHBondContact O-N 3.37Å; H157-F161 PolarHBondContact O-N 3.43Å; H157-F161 VanDerWaalsContact O-N 3.11Å |
| 158 | L | 94.1 | Very high | 93.7 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -56.2 | -40.5 | 175.7 | -91.5 | 65.6 | 0 | 0 | 0 | 112.1 | M147 C160 F161 | M147-L158 VanDerWaalsContact C-CD1 3.46Å; M147-L158 HydrophobicContact CB-CD1 3.93Å; M147-L158 WeakPolarHBondContact O-CD1 3.47Å; L158-C160 PolarHBondContact O-N 3.28Å; L158-F161 PolarHBondContact O-N 3.27Å |
| 159 | S | 94.8 | Very high | 93.8 | Very high | 88 Ų | 88 | 59.5 Ų | 59.5 | 62% | 0.615 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -68.2 | -21.5 | 176 | 54.6 | 0 | 0 | 0 | 0 | 114 | H157 | H157-S159 VanDerWaalsContact C-N 3.25Å; H157-S159 PolarHBondContact O-N 3.04Å |
| 160 | C | 94.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 58 Ų | 58 | 14% | 0.135 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -97.1 | -6.3 | -179.3 | -66.1 | 0 | 0 | 0 | 0 | 113.4 | C135 R137 C138 H157 L158 T162 | C135-C160 WeakPolarHBondContact SG-CB 3.41Å; R137-C160 HydrophobicContact CB-CB 4.06Å; R137-C160 HydrophobicContact CG-CB 4.28Å; C138-C160 VanDerWaalsContact SG-SG 3.67Å; H157-C160 HydrophobicContact CB-CB 4.01Å; H157-C160 PolarHBondContact ND1-SG 3.35Å; H157-C160 VanDerWaalsContact ND1-SG 3.4Å; H157-C160 CarbonylContact O-C 3.6Å; H157-C160 WeakPolarHBondContact O-CA 3.18Å; H157-C160 PolarHBondContact O-N 3.37Å; L158-C160 PolarHBondContact O-N 3.28Å; C160-T162 PolarHBondContact O-N 2.79Å |
| 161 | F | 96 | Very high | 93.8 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | trans | -84.9 | 68.4 | 177.2 | -161 | -105.1 | 0 | 0 | 0 | 110.5 | M149 A151 Y156 H157 L158 L170 F176 V183 | M149-F161 HydrophobicContact CB-CB 3.95Å; M149-F161 HydrophobicContact CB-CD1 4.29Å; M149-F161 HydrophobicContact CB-CD2 3.82Å; M149-F161 HydrophobicContact CB-CE2 4.39Å; M149-F161 HydrophobicContact CB-CG 3.75Å; M149-F161 HydrophobicContact CE-CD1 4.23Å; M149-F161 HydrophobicContact CG-CB 4.25Å; M149-F161 HydrophobicContact CG-CD1 3.63Å; M149-F161 HydrophobicContact CG-CD2 3.63Å; M149-F161 HydrophobicContact CG-CE1 3.79Å; M149-F161 HydrophobicContact CG-CE2 3.77Å; M149-F161 HydrophobicContact CG-CG 3.55Å; M149-F161 HydrophobicContact CG-CZ 3.85Å; A151-F161 HydrophobicContact CB-CE2 3.92Å; A151-F161 HydrophobicContact CB-CZ 4.22Å; Y156-F161 HydrophobicContact CD1-CD2 4.29Å; Y156-F161 AromaticContact CD2-CD2 3.73Å; Y156-F161 HydrophobicContact CD2-CD2 3.73Å; Y156-F161 HydrophobicContact CD2-CE2 4.01Å; Y156-F161 HydrophobicContact CE2-CD2 4.31Å; Y156-F161 HydrophobicContact CE2-CE2 4.21Å; Y156-F161 AromaticContact CG-CD2 3.75Å; Y156-F161 HydrophobicContact CG-CD2 3.75Å; Y156-F161 HydrophobicContact CG-CE2 4.45Å; H157-F161 PolarHBondContact O-N 3.43Å; H157-F161 VanDerWaalsContact O-N 3.11Å; L158-F161 PolarHBondContact O-N 3.27Å; F161-L170 HydrophobicContact CD1-CB 3.69Å; F161-L170 WeakPolarHBondContact CD1-O 3.18Å; F161-L170 HydrophobicContact CE1-CB 3.83Å; F161-L170 HydrophobicContact CE1-CD1 4.47Å; F161-L170 PolarHBondContact O-N 2.66Å; F161-F176 HydrophobicContact CE1-CD1 4.06Å; F161-F176 HydrophobicContact CE1-CD2 4.49Å; F161-F176 HydrophobicContact CE1-CE1 4.11Å; F161-F176 HydrophobicContact CE1-CG 4.24Å; F161-F176 HydrophobicContact CE1-CZ 4.35Å; F161-F176 HydrophobicContact CZ-CD1 4.11Å; F161-F176 AromaticContact CZ-CD2 3.92Å; F161-F176 HydrophobicContact CZ-CD2 3.92Å; F161-F176 AromaticContact CZ-CE1 3.88Å; F161-F176 HydrophobicContact CZ-CE1 3.88Å; F161-F176 AromaticContact CZ-CE2 3.7Å; F161-F176 HydrophobicContact CZ-CE2 3.7Å; F161-F176 HydrophobicContact CZ-CG 4.12Å; F161-F176 AromaticContact CZ-CZ 3.66Å; F161-F176 HydrophobicContact CZ-CZ 3.66Å; F161-V183 HydrophobicContact CD2-CG2 4.09Å; F161-V183 HydrophobicContact CE1-CG1 4.22Å; F161-V183 HydrophobicContact CE2-CB 4.47Å; F161-V183 HydrophobicContact CE2-CG1 4.05Å; F161-V183 HydrophobicContact CE2-CG2 3.62Å; F161-V183 HydrophobicContact CZ-CG1 3.87Å; F161-V183 HydrophobicContact CZ-CG2 4.21Å | ||
| 162 | T | 96.2 | Very high | 93.8 | Very high | 20 Ų | 20 | 60.2 Ų | 60.2 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -116.3 | 149.9 | -174.8 | 54 | 0 | 0 | 0 | 0 | 111.4 | C160 T164 N167 K168 T169 | C160-T162 PolarHBondContact O-N 2.79Å; T162-T164 PolarHBondContact O-N 3.09Å; T162-N167 WeakPolarHBondContact CG2-O 3.46Å; T162-K168 CarbonylContact C-O 3.56Å; T162-K168 WeakPolarHBondContact CA-O 3.49Å; T162-T169 HydrophobicContact CG2-CG2 4.45Å |
| 163 | C | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -63 | 127.4 | 171.7 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | T165 C166 N167 K168 L170 V183 C185 | C163-T165 PolarHBondContact O-N 2.78Å; C163-C166 PolarHBondContact O-N 3.05Å; C163-N167 WeakPolarHBondContact O-CA 3.16Å; C163-N167 PolarHBondContact O-N 3.04Å; C163-K168 PolarHBondContact N-O 3.38Å; C163-L170 HydrophobicContact CB-CD1 4.45Å; C163-V183 CarbonylContact C-O 3.49Å; C163-C185 HydrophobicContact CB-CB 4.04Å; C163-C185 PolarHBondContact SG-N 3.36Å | ||
| 164 | T | 95.2 | Very high | 94 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.7 | -177.4 | -60.2 | 0 | 0 | 0 | 0 | 113.4 | R137 T162 V183 Y184 | R137-T164 PolarHBondContact NH1-OG1 3.48Å; R137-T164 VanDerWaalsContact NH1-OG1 3.08Å; T162-T164 PolarHBondContact O-N 3.09Å; T164-V183 PolarHBondContact N-O 3.32Å; T164-V183 PolarHBondContact OG1-O 3.11Å; T164-Y184 HydrophobicContact CG2-CE1 4.5Å |
| 165 | T | 94.9 | Very high | 94 | Very high | 83 Ų | 83 | 53.5 Ų | 53.5 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -37.9 | -177.4 | -46.3 | 0 | 0 | 0 | 0 | 113.8 | C163 Y184 H188 | C163-T165 PolarHBondContact O-N 2.78Å; T165-Y184 WeakPolarHBondContact OG1-CD1 3.47Å; T165-H188 HydrophobicContact CG2-CB 4.36Å |
| 166 | C | 95.6 | Very high | 94.1 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 38% | 0.378 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 5.3 | -173.8 | 66.6 | 0 | 0 | 0 | 0 | 114.7 | C163 K168 H188 | C163-C166 PolarHBondContact O-N 3.05Å; C166-K168 PolarHBondContact O-N 3.29Å; C166-H188 VanDerWaalsContact CB-CE1 3.44Å; C166-H188 WeakPolarHBondContact CB-CE1 3.4Å; C166-H188 PolarHBondContact SG-CE1 3.1Å; C166-H188 PolarHBondContact SG-ND1 3.4Å |
| 167 | N | 95.5 | Very high | 94.1 | Very high | 109 Ų | 109 | 53.6 Ų | 53.6 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | trans | 55.5 | 9.1 | -177.9 | -59.2 | -43.4 | 0 | 0 | 0 | 115.9 | T162 C163 T169 | T162-N167 WeakPolarHBondContact CG2-O 3.46Å; C163-N167 WeakPolarHBondContact O-CA 3.16Å; C163-N167 PolarHBondContact O-N 3.04Å; N167-T169 PolarHBondContact O-N 3.16Å | ||
| 168 | K | 94.4 | Very high | 94 | Very high | 112 Ų | 112 | 53.6 Ų | 53.6 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | trans | -60.2 | 121.3 | 175.4 | -167.1 | -161.7 | -178.6 | -157.6 | 0 | 109.9 | T162 C163 C166 D174 | T162-K168 CarbonylContact C-O 3.56Å; T162-K168 WeakPolarHBondContact CA-O 3.49Å; C163-K168 PolarHBondContact N-O 3.38Å; C166-K168 PolarHBondContact O-N 3.29Å; K168-D174 IonicContact NZ-OD1 3.65Å | ||
| 169 | T | 94.8 | Very high | 93.8 | Very high | 70 Ų | 70 | 54.4 Ų | 54.4 | 43% | 0.429 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -62.7 | 137.6 | 170 | -44.9 | 0 | 0 | 0 | 0 | 110.3 | T162 N167 | T162-T169 HydrophobicContact CG2-CG2 4.45Å; N167-T169 PolarHBondContact O-N 3.16Å |
| 170 | L | 93.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | trans | -112.8 | 134.5 | -179.1 | -65.7 | 157 | 0 | 0 | 0 | 108.7 | F161 C163 D174 F176 V183 C185 | F161-L170 HydrophobicContact CD1-CB 3.69Å; F161-L170 WeakPolarHBondContact CD1-O 3.18Å; F161-L170 HydrophobicContact CE1-CB 3.83Å; F161-L170 HydrophobicContact CE1-CD1 4.47Å; F161-L170 PolarHBondContact O-N 2.66Å; C163-L170 HydrophobicContact CB-CD1 4.45Å; L170-D174 HydrophobicContact CB-CB 4.35Å; L170-D174 HydrophobicContact CD2-CB 3.86Å; L170-F176 HydrophobicContact CD1-CB 3.74Å; L170-F176 HydrophobicContact CD2-CB 4.39Å; L170-V183 HydrophobicContact CD1-CG1 3.59Å; L170-C185 HydrophobicContact CD2-CB 3.93Å | ||
| 171 | T | 93.5 | Very high | 93 | Very high | 86 Ų | 86 | 58.6 Ų | 58.6 | 53% | 0.528 | 34% | 0.34 | S | S | . | . | trans | -121.4 | 172.1 | -173 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | G173 D174 | T171-G173 PolarHBondContact O-N 2.99Å; T171-D174 PolarHBondContact N-OD2 2.94Å; T171-D174 WeakPolarHBondContact O-CB 3.26Å; T171-D174 PolarHBondContact O-N 3.03Å; T171-D174 PolarHBondContact OG1-OD2 3.12Å | ||
| 172 | T | 90.3 | Very high | 92.7 | Very high | 128 Ų | 128 | 61.6 Ų | 61.6 | 79% | 0.785 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 111.4 | 178.8 | -51.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 173 | G | 89.7 | Confident | 92.7 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 68% | 0.68 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.9 | -16.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T171 | T171-G173 PolarHBondContact O-N 2.99Š|
| 174 | D | 92.3 | Very high | 92.6 | Very high | 45 Ų | 45 | 62 Ų | 62 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | trans | -67.8 | 146.5 | 171 | -83.5 | -64.1 | 0 | 0 | 0 | 111.4 | K168 L170 T171 | K168-D174 IonicContact NZ-OD1 3.65Å; L170-D174 HydrophobicContact CB-CB 4.35Å; L170-D174 HydrophobicContact CD2-CB 3.86Å; T171-D174 PolarHBondContact N-OD2 2.94Å; T171-D174 WeakPolarHBondContact O-CB 3.26Å; T171-D174 PolarHBondContact O-N 3.03Å; T171-D174 PolarHBondContact OG1-OD2 3.12Å | ||
| 175 | H | 92.7 | Very high | 92.6 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 39% | 0.389 | 35% | 0.349 | S | S | . | . | trans | -88.9 | 116.7 | 175.6 | -73.7 | 57.4 | 0 | 0 | 0 | 111.5 | R186 Y218 | H175-R186 HydrophobicContact CB-CB 3.99Å; H175-R186 PolarHBondContact O-N 3.31Å; H175-Y218 WeakPolarHBondContact CA-OH 3.32Å; H175-Y218 HydrophobicContact CB-CE2 3.56Å; H175-Y218 AromaticContact CD2-CE1 3.53Å; H175-Y218 AromaticContact CD2-CE2 3.9Å; H175-Y218 AromaticContact CD2-CZ 3.56Å; H175-Y218 AromaticContact CG-CZ 3.75Å | ||
| 176 | F | 94.6 | Very high | 92.5 | Very high | 15 Ų | 15 | 63.8 Ų | 63.8 | 7% | 0.066 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 151.9 | 176.8 | 78.9 | -88.9 | 0 | 0 | 0 | 114.1 | A151 F161 L170 V183 Y184 Y218 F219 | A151-F176 HydrophobicContact CB-CE2 4.08Å; A151-F176 HydrophobicContact CB-CZ 4.05Å; F161-F176 HydrophobicContact CE1-CD1 4.06Å; F161-F176 HydrophobicContact CE1-CD2 4.49Å; F161-F176 HydrophobicContact CE1-CE1 4.11Å; F161-F176 HydrophobicContact CE1-CG 4.24Å; F161-F176 HydrophobicContact CE1-CZ 4.35Å; F161-F176 HydrophobicContact CZ-CD1 4.11Å; F161-F176 AromaticContact CZ-CD2 3.92Å; F161-F176 HydrophobicContact CZ-CD2 3.92Å; F161-F176 AromaticContact CZ-CE1 3.88Å; F161-F176 HydrophobicContact CZ-CE1 3.88Å; F161-F176 AromaticContact CZ-CE2 3.7Å; F161-F176 HydrophobicContact CZ-CE2 3.7Å; F161-F176 HydrophobicContact CZ-CG 4.12Å; F161-F176 AromaticContact CZ-CZ 3.66Å; F161-F176 HydrophobicContact CZ-CZ 3.66Å; L170-F176 HydrophobicContact CD1-CB 3.74Å; L170-F176 HydrophobicContact CD2-CB 4.39Å; F176-V183 HydrophobicContact CB-CG1 4.35Å; F176-V183 HydrophobicContact CD2-CG1 4.03Å; F176-V183 HydrophobicContact CG-CG1 4.44Å; F176-Y184 CarbonylContact C-O 3.58Å; F176-Y184 WeakPolarHBondContact CA-O 3.49Å; F176-Y184 VanDerWaalsContact CB-O 3.31Å; F176-Y184 WeakPolarHBondContact CB-O 3.45Å; F176-Y218 VanDerWaalsContact N-CE2 3.28Å; F176-Y218 PolarHBondContact N-OH 3.19Å; F176-Y218 WeakPolarHBondContact O-CE2 3.41Å; F176-Y218 PolarHBondContact O-OH 3.44Å; F176-F219 HydrophobicContact CE1-CD1 4.18Å; F176-F219 HydrophobicContact CE2-CD1 4.12Å; F176-F219 AromaticContact CZ-CD1 3.51Å; F176-F219 HydrophobicContact CZ-CD1 3.51Å; F176-F219 HydrophobicContact CZ-CE1 4.07Å |
| 177 | G | 92.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 165.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y184 | G177-Y184 PolarHBondContact N-O 2.86Å; G177-Y184 PolarHBondContact O-N 2.85Å |
| 178 | M | 92.6 | Very high | 92.4 | Very high | 14 Ų | 14 | 63.9 Ų | 63.9 | 7% | 0.069 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 131.6 | -178.3 | 177.1 | -179.1 | -83.4 | 0 | 0 | 111 | A151 R152 Y156 L182 V183 | A151-M178 HydrophobicContact CB-CE 3.47Å; A151-M178 VanDerWaalsContact CB-CE 3.47Å; A151-M178 HydrophobicContact CB-SD 4.5Å; R152-M178 HydrophobicContact CG-SD 4.28Å; Y156-M178 HydrophobicContact CE2-CE 4.11Å; Y156-M178 WeakPolarHBondContact OH-CE 3.21Å; M178-L182 VanDerWaalsContact CA-O 3.29Å; M178-L182 WeakPolarHBondContact CA-O 3.36Å; M178-V183 HydrophobicContact CE-CG2 3.76Å |
| 179 | K | 89.9 | Confident | 92.4 | Very high | 100 Ų | 100 | 59.4 Ų | 59.4 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 135.3 | 174.2 | -168.2 | -167.4 | 172.7 | -175.8 | 0 | 108.2 | S181 L182 Y184 F189 L192 | K179-S181 PolarHBondContact O-N 3.3Å; K179-S181 VanDerWaalsContact O-N 3.14Å; K179-L182 PolarHBondContact N-O 2.9Å; K179-L182 VanDerWaalsContact N-O 3.09Å; K179-L182 WeakPolarHBondContact O-CA 3.37Å; K179-L182 WeakPolarHBondContact O-CB 3.49Å; K179-L182 PolarHBondContact O-N 3.33Å; K179-Y184 HydrophobicContact CB-CE2 4.34Å; K179-F189 HydrophobicContact CB-CE2 4.33Å; K179-L192 HydrophobicContact CD-CD2 3.56Å |
| 180 | D | 86.4 | Confident | 92.3 | Very high | 129 Ų | 129 | 59.2 Ų | 59.2 | 69% | 0.69 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 39.7 | 176.3 | -47 | -35.9 | 0 | 0 | 0 | 113.8 | L182 | D180-L182 PolarHBondContact O-N 2.91Å; D180-L182 VanDerWaalsContact O-N 3.08Å |
| 181 | S | 85.4 | Confident | 92.2 | Very high | 67 Ų | 67 | 63.2 Ų | 63.2 | 47% | 0.469 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 8.6 | -172.2 | -58.6 | 0 | 0 | 0 | 0 | 115.9 | Y156 K179 | Y156-S181 PolarHBondContact OH-O 3.42Å; K179-S181 PolarHBondContact O-N 3.3Å; K179-S181 VanDerWaalsContact O-N 3.14Å |
| 182 | L | 91.6 | Very high | 91.9 | Very high | 66 Ų | 66 | 62.2 Ų | 62.2 | 35% | 0.346 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 136.3 | 170 | -61 | 175.5 | 0 | 0 | 0 | 110.5 | M178 K179 D180 Y184 | M178-L182 VanDerWaalsContact CA-O 3.29Å; M178-L182 WeakPolarHBondContact CA-O 3.36Å; K179-L182 PolarHBondContact N-O 2.9Å; K179-L182 VanDerWaalsContact N-O 3.09Å; K179-L182 WeakPolarHBondContact O-CA 3.37Å; K179-L182 WeakPolarHBondContact O-CB 3.49Å; K179-L182 PolarHBondContact O-N 3.33Å; D180-L182 PolarHBondContact O-N 2.91Å; D180-L182 VanDerWaalsContact O-N 3.08Å; L182-Y184 HydrophobicContact CB-CE2 3.63Å; L182-Y184 WeakPolarHBondContact CD1-OH 3.4Å; L182-Y184 WeakPolarHBondContact O-CD2 3.45Å |
| 183 | V | 94.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 138.5 | 179.1 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | Y156 F161 C163 T164 L170 F176 M178 | Y156-V183 HydrophobicContact CE1-CG2 4.14Å; Y156-V183 HydrophobicContact CE2-CG2 4.47Å; F161-V183 HydrophobicContact CD2-CG2 4.09Å; F161-V183 HydrophobicContact CE1-CG1 4.22Å; F161-V183 HydrophobicContact CE2-CB 4.47Å; F161-V183 HydrophobicContact CE2-CG1 4.05Å; F161-V183 HydrophobicContact CE2-CG2 3.62Å; F161-V183 HydrophobicContact CZ-CG1 3.87Å; F161-V183 HydrophobicContact CZ-CG2 4.21Å; C163-V183 CarbonylContact C-O 3.49Å; T164-V183 PolarHBondContact N-O 3.32Å; T164-V183 PolarHBondContact OG1-O 3.11Å; L170-V183 HydrophobicContact CD1-CG1 3.59Å; F176-V183 HydrophobicContact CB-CG1 4.35Å; F176-V183 HydrophobicContact CD2-CG1 4.03Å; F176-V183 HydrophobicContact CG-CG1 4.44Å; M178-V183 HydrophobicContact CE-CG2 3.76Å |
| 184 | Y | 94.6 | Very high | 91.2 | Very high | 23 Ų | 23 | 61.4 Ų | 61.4 | 9% | 0.09 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140.7 | 178.4 | -61.3 | -89 | 0 | 0 | 0 | 109.7 | T164 T165 F176 G177 K179 L182 H188 F189 L192 | T164-Y184 HydrophobicContact CG2-CE1 4.5Å; T165-Y184 WeakPolarHBondContact OG1-CD1 3.47Å; F176-Y184 CarbonylContact C-O 3.58Å; F176-Y184 WeakPolarHBondContact CA-O 3.49Å; F176-Y184 VanDerWaalsContact CB-O 3.31Å; F176-Y184 WeakPolarHBondContact CB-O 3.45Å; G177-Y184 PolarHBondContact N-O 2.86Å; G177-Y184 PolarHBondContact O-N 2.85Å; K179-Y184 HydrophobicContact CB-CE2 4.34Å; L182-Y184 HydrophobicContact CB-CE2 3.63Å; L182-Y184 WeakPolarHBondContact CD1-OH 3.4Å; L182-Y184 WeakPolarHBondContact O-CD2 3.45Å; Y184-H188 HydrophobicContact CD1-CB 4.46Å; Y184-F189 HydrophobicContact CD2-CD2 4.19Å; Y184-F189 HydrophobicContact CG-CD2 4.48Å; Y184-L192 HydrophobicContact CD1-CD1 4.32Å; Y184-L192 HydrophobicContact CE1-CD1 3.68Å; Y184-L192 HydrophobicContact CE2-CD1 4.24Å |
| 185 | C | 95.3 | Very high | 89.9 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 10% | 0.101 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 158.3 | 167.5 | 69.9 | 0 | 0 | 0 | 0 | 110 | C163 L170 L187 H188 F189 | C163-C185 HydrophobicContact CB-CB 4.04Å; C163-C185 PolarHBondContact SG-N 3.36Å; L170-C185 HydrophobicContact CD2-CB 3.93Å; C185-L187 VanDerWaalsContact C-N 3.27Å; C185-L187 PolarHBondContact O-N 3.23Å; C185-L187 VanDerWaalsContact O-N 3.11Å; C185-H188 PolarHBondContact O-N 3.39Å; C185-H188 VanDerWaalsContact O-N 3.14Å; C185-H188 PolarHBondContact SG-ND1 3.23Å; C185-F189 PolarHBondContact O-N 3.19Å |
| 186 | R | 93.4 | Very high | 88.1 | Confident | 147 Ų | 147 | 63.3 Ų | 63.3 | 56% | 0.555 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -40.7 | -52.3 | -179.1 | 177.7 | 177.9 | 169.6 | 173.4 | -1.9 | 113.5 | H175 F189 E190 | H175-R186 HydrophobicContact CB-CB 3.99Å; H175-R186 PolarHBondContact O-N 3.31Å; R186-F189 PolarHBondContact O-N 2.88Å; R186-E190 WeakPolarHBondContact O-CB 3.45Å; R186-E190 PolarHBondContact O-N 3.35Å |
| 187 | L | 94.3 | Very high | 86.1 | Confident | 117 Ų | 117 | 69.9 Ų | 69.9 | 61% | 0.613 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57.6 | -54.3 | -177.3 | -175.4 | 62.7 | 0 | 0 | 0 | 112.5 | C185 F189 E190 T191 | C185-L187 VanDerWaalsContact C-N 3.27Å; C185-L187 PolarHBondContact O-N 3.23Å; C185-L187 VanDerWaalsContact O-N 3.11Å; L187-F189 VanDerWaalsContact C-N 3.33Å; L187-F189 PolarHBondContact O-N 3.45Å; L187-E190 PolarHBondContact O-N 3.43Å; L187-T191 PolarHBondContact O-N 3.42Å; L187-T191 VanDerWaalsContact O-N 3.07Å; L187-T191 PolarHBondContact O-OG1 2.89Å; L187-T191 VanDerWaalsContact O-OG1 3.09Å |
| 188 | H | 94.9 | Very high | 83.8 | Confident | 49 Ų | 49 | 79 Ų | 79 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -72.3 | -27 | -178 | -63.3 | 116.9 | 0 | 0 | 0 | 113.1 | T165 C166 Y184 C185 L192 | T165-H188 HydrophobicContact CG2-CB 4.36Å; C166-H188 VanDerWaalsContact CB-CE1 3.44Å; C166-H188 WeakPolarHBondContact CB-CE1 3.4Å; C166-H188 PolarHBondContact SG-CE1 3.1Å; C166-H188 PolarHBondContact SG-ND1 3.4Å; Y184-H188 HydrophobicContact CD1-CB 4.46Å; C185-H188 PolarHBondContact O-N 3.39Å; C185-H188 VanDerWaalsContact O-N 3.14Å; C185-H188 PolarHBondContact SG-ND1 3.23Å; H188-L192 WeakPolarHBondContact O-CB 3.45Å; H188-L192 PolarHBondContact O-N 3.3Å |
| 189 | F | 94.1 | Very high | 82 | Confident | 18 Ų | 18 | 85.3 Ų | 85.3 | 8% | 0.079 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.8 | -42.4 | 171.9 | -169.7 | -108.9 | 0 | 0 | 0 | 111.4 | K179 Y184 C185 R186 L187 L192 V193 | K179-F189 HydrophobicContact CB-CE2 4.33Å; Y184-F189 HydrophobicContact CD2-CD2 4.19Å; Y184-F189 HydrophobicContact CG-CD2 4.48Å; C185-F189 PolarHBondContact O-N 3.19Å; R186-F189 PolarHBondContact O-N 2.88Å; L187-F189 VanDerWaalsContact C-N 3.33Å; L187-F189 PolarHBondContact O-N 3.45Å; F189-L192 PolarHBondContact O-N 3.32Å; F189-V193 HydrophobicContact CD1-CG2 4.26Å; F189-V193 HydrophobicContact CE1-CG2 3.95Å; F189-V193 HydrophobicContact CE2-CG2 4.35Å; F189-V193 HydrophobicContact CZ-CG2 4Å; F189-V193 WeakPolarHBondContact O-CG2 3.5Å; F189-V193 PolarHBondContact O-N 2.82Å |
| 190 | E | 92.2 | Very high | 80 | Confident | 67 Ų | 67 | 85 Ų | 85 | 31% | 0.313 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 177.5 | -174.1 | 163 | -173.9 | 0 | 0 | 111.2 | R186 L187 L192 V193 Q194 | R186-E190 WeakPolarHBondContact O-CB 3.45Å; R186-E190 PolarHBondContact O-N 3.35Å; L187-E190 PolarHBondContact O-N 3.43Å; E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 2.93Å; E190-V193 PolarHBondContact O-N 3.36Å; E190-Q194 VanDerWaalsContact CG-NE2 3.31Å; E190-Q194 WeakPolarHBondContact O-CB 3.48Å; E190-Q194 VanDerWaalsContact O-CG 3.31Å; E190-Q194 WeakPolarHBondContact O-CG 3.32Å; E190-Q194 PolarHBondContact O-N 2.86Å |
| 191 | T | 91.4 | Very high | 78 | Confident | 86 Ų | 86 | 86.9 Ų | 86.9 | 53% | 0.528 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 172.3 | -48.7 | 0 | 0 | 0 | 0 | 112.8 | L187 V193 Q194 G195 | L187-T191 PolarHBondContact O-N 3.42Å; L187-T191 VanDerWaalsContact O-N 3.07Å; L187-T191 PolarHBondContact O-OG1 2.89Å; L187-T191 VanDerWaalsContact O-OG1 3.09Å; T191-V193 VanDerWaalsContact C-N 3.34Å; T191-V193 PolarHBondContact O-N 3.27Å; T191-Q194 PolarHBondContact O-N 3.27Å; T191-G195 PolarHBondContact O-N 3.35Å |
| 192 | L | 88 | Confident | 76.3 | Confident | 66 Ų | 66 | 91.8 Ų | 91.8 | 35% | 0.346 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72.1 | -26.6 | -178.1 | -172.8 | 147 | 0 | 0 | 0 | 113.2 | K179 Y184 H188 F189 E190 | K179-L192 HydrophobicContact CD-CD2 3.56Å; Y184-L192 HydrophobicContact CD1-CD1 4.32Å; Y184-L192 HydrophobicContact CE1-CD1 3.68Å; Y184-L192 HydrophobicContact CE2-CD1 4.24Å; H188-L192 WeakPolarHBondContact O-CB 3.45Å; H188-L192 PolarHBondContact O-N 3.3Å; F189-L192 PolarHBondContact O-N 3.32Å; E190-L192 VanDerWaalsContact C-N 3.31Å; E190-L192 PolarHBondContact O-N 2.93Å |
| 193 | V | 84.9 | Confident | 74.1 | Confident | 70 Ų | 70 | 94.3 Ų | 94.3 | 42% | 0.424 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -85.3 | -29.7 | 175.6 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | F189 E190 T191 L216 | F189-V193 HydrophobicContact CD1-CG2 4.26Å; F189-V193 HydrophobicContact CE1-CG2 3.95Å; F189-V193 HydrophobicContact CE2-CG2 4.35Å; F189-V193 HydrophobicContact CZ-CG2 4Å; F189-V193 WeakPolarHBondContact O-CG2 3.5Å; F189-V193 PolarHBondContact O-N 2.82Å; E190-V193 PolarHBondContact O-N 3.36Å; T191-V193 VanDerWaalsContact C-N 3.34Å; T191-V193 PolarHBondContact O-N 3.27Å; V193-L216 HydrophobicContact CG1-CD2 3.87Å |
| 194 | Q | 79.4 | Confident | 71.8 | Confident | 106 Ų | 106 | 104.2 Ų | 104.2 | 50% | 0.495 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74.5 | -26.2 | -178.3 | -75 | 171.2 | 1.6 | 0 | 0 | 114 | E190 T191 | E190-Q194 VanDerWaalsContact CG-NE2 3.31Å; E190-Q194 WeakPolarHBondContact O-CB 3.48Å; E190-Q194 VanDerWaalsContact O-CG 3.31Å; E190-Q194 WeakPolarHBondContact O-CG 3.32Å; E190-Q194 PolarHBondContact O-N 2.86Å; T191-Q194 PolarHBondContact O-N 3.27Å |
| 195 | G | 64.7 | Low | 69.7 | Low | 43 Ų | 43 | 107.1 Ų | 107.1 | 44% | 0.443 | 56% | 0.56 | S | S | . | * | trans | 68.1 | -179.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T191 D197 | T191-G195 PolarHBondContact O-N 3.35Å; G195-D197 VanDerWaalsContact C-N 3.32Å; G195-D197 PolarHBondContact O-N 3.23Å | ||
| 196 | P | 55.7 | Low | 67.2 | Low | 127 Ų | 127 | 113.9 Ų | 113.9 | 83% | 0.825 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -19.3 | -178.5 | -16.9 | 32.8 | 0 | 0 | 0 | 114.4 | ||
| 197 | D | 51.9 | Low | 64.9 | Low | 153 Ų | 153 | 115.3 Ų | 115.3 | 82% | 0.818 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 15.3 | -165 | -61.9 | -75.3 | 0 | 0 | 0 | 114.9 | G195 | G195-D197 VanDerWaalsContact C-N 3.32Å; G195-D197 PolarHBondContact O-N 3.23Å |
| 198 | Y | 45.1 | Very low | 62.6 | Low | 190 Ų | 190 | 114.8 Ų | 114.8 | 75% | 0.745 | 62% | 0.62 | S | S | * | * | trans | -125.7 | 83.3 | 174.1 | -129.7 | -95.3 | 0 | 0 | 0 | 112.5 | P200 | Y198-P200 VanDerWaalsContact O-CD 3.25Å; Y198-P200 WeakPolarHBondContact O-CD 3.3Å | ||
| 199 | H | 53.6 | Low | 60.4 | Low | 148 Ų | 148 | 116.2 Ų | 116.2 | 69% | 0.685 | 64% | 0.64 | S | S | * | * | trans | -70.9 | 111.2 | 163.3 | -174.6 | -64.5 | 0 | 0 | 0 | 108.7 | Q201 | H199-Q201 VanDerWaalsContact C-N 3.3Å; H199-Q201 WeakPolarHBondContact ND1-CG 3.47Å; H199-Q201 PolarHBondContact ND1-N 3.4Å; H199-Q201 VanDerWaalsContact ND1-N 3.18Å; H199-Q201 PolarHBondContact O-N 3.07Å | ||
| 200 | P | 49.6 | Very low | 57.9 | Low | 94 Ų | 94 | 125 Ų | 125 | 61% | 0.61 | 68% | 0.678 | S | S | * | * | trans | -76.2 | 90.4 | 169.1 | 15.1 | 1 | 0 | 0 | 0 | 106.7 | Y198 L202 | Y198-P200 VanDerWaalsContact O-CD 3.25Å; Y198-P200 WeakPolarHBondContact O-CD 3.3Å; P200-L202 PolarHBondContact O-N 3.36Å; P200-L202 VanDerWaalsContact O-N 3.09Å | ||
| 201 | Q | 44.1 | Very low | 55.5 | Low | 167 Ų | 167 | 126.1 Ų | 126.1 | 78% | 0.78 | 71% | 0.708 | S | S | * | * | trans | -61 | 116 | 159.4 | -88 | -152.5 | -13.6 | 0 | 0 | 106.9 | H199 N203 | H199-Q201 VanDerWaalsContact C-N 3.3Å; H199-Q201 WeakPolarHBondContact ND1-CG 3.47Å; H199-Q201 PolarHBondContact ND1-N 3.4Å; H199-Q201 VanDerWaalsContact ND1-N 3.18Å; H199-Q201 PolarHBondContact O-N 3.07Å; Q201-N203 PolarHBondContact O-N 3.31Å | ||
| 202 | L | 48.3 | Very low | 53 | Low | 171 Ų | 171 | 125.4 Ų | 125.4 | 90% | 0.895 | 72% | 0.718 | S | S | * | * | trans | -70.5 | 77.9 | -178.9 | -66.4 | 171.3 | 0 | 0 | 0 | 110 | P200 F204 | P200-L202 PolarHBondContact O-N 3.36Å; P200-L202 VanDerWaalsContact O-N 3.09Å; L202-F204 PolarHBondContact O-N 3.24Å | ||
| 203 | N | 46.5 | Very low | 50.6 | Low | 118 Ų | 118 | 126 Ų | 126 | 63% | 0.631 | 74% | 0.741 | S | S | * | * | trans | -93.5 | 90.4 | 166.5 | -161.7 | 18.1 | 0 | 0 | 0 | 109.4 | Q201 A205 | Q201-N203 PolarHBondContact O-N 3.31Å; N203-A205 PolarHBondContact O-N 2.96Å; N203-A205 VanDerWaalsContact O-N 3.07Å | ||
| 204 | F | 45.3 | Very low | 48.5 | Very low | 213 Ų | 213 | 130.8 Ų | 130.8 | 93% | 0.934 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -0.8 | -172 | -169.8 | -101.5 | 0 | 0 | 0 | 114.3 | L202 | L202-F204 PolarHBondContact O-N 3.24Š|
| 205 | A | 50.3 | Low | 47 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -20.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | N203 | N203-A205 PolarHBondContact O-N 2.96Å; N203-A205 VanDerWaalsContact O-N 3.07Å |
| 206 | E | 42.7 | Very low | 46.6 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -125 | 16.2 | -158 | -139.7 | 171.5 | 130.2 | 0 | 0 | 116.6 | ||
| 207 | L | 46.7 | Very low | 46.8 | Very low | 176 Ų | 176 | 131 Ų | 131 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -106.2 | 25.9 | -176.7 | -133.1 | 75.4 | 0 | 0 | 0 | 115.8 | ||||
| 208 | A | 45.7 | Very low | 47.2 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 88% | 0.884 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -88.2 | -7.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 209 | A | 47.9 | Very low | 48 | Very low | 79 Ų | 79 | 121.5 Ų | 121.5 | 65% | 0.653 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -111.7 | -14.7 | -157.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 210 | K | 41.3 | Very low | 48.3 | Very low | 201 Ų | 201 | 119.7 Ų | 119.7 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -141.5 | 100.9 | -176.8 | -65.2 | -66.1 | 171.9 | -177.3 | 0 | 112.9 | G212 | K210-G212 PolarHBondContact O-N 2.73Š| ||
| 211 | G | 42.9 | Very low | 48.2 | Very low | 92 Ų | 92 | 116.8 Ų | 116.8 | 95% | 0.948 | 71% | 0.705 | S | S | * | * | trans | -71.8 | 121.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 212 | G | 38.9 | Very low | 47.9 | Very low | 71 Ų | 71 | 115.1 Ų | 115.1 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | trans | -174.4 | 60.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K210 L214 | K210-G212 PolarHBondContact O-N 2.73Å; G212-L214 PolarHBondContact O-N 3.07Å | ||
| 213 | G | 36.9 | Very low | 47.2 | Very low | 79 Ų | 79 | 110.7 Ų | 110.7 | 81% | 0.814 | 70% | 0.702 | S | S | * | * | trans | -68.6 | 115.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A215 | G213-A215 PolarHBondContact O-N 3.46Å; G213-A215 VanDerWaalsContact O-N 3.13Å | ||
| 214 | L | 41.7 | Very low | 46.9 | Very low | 170 Ų | 170 | 112 Ų | 112 | 89% | 0.89 | 72% | 0.715 | S | S | * | * | trans | -68.2 | 104.5 | 164.5 | -65.4 | 176.4 | 0 | 0 | 0 | 108.7 | G212 L216 | G212-L214 PolarHBondContact O-N 3.07Å; L214-L216 PolarHBondContact O-N 3.18Å; L214-L216 VanDerWaalsContact O-N 3.09Å | ||
| 215 | A | 48.3 | Very low | 46.5 | Very low | 102 Ų | 102 | 106.7 Ų | 106.7 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | trans | -71.1 | 104.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | G213 | G213-A215 PolarHBondContact O-N 3.46Å; G213-A215 VanDerWaalsContact O-N 3.13Å | ||
| 216 | L | 55 | Low | 46 | Very low | 89 Ų | 89 | 110.4 Ų | 110.4 | 47% | 0.466 | 71% | 0.713 | S | S | . | * | trans | -57.6 | 144.8 | 170 | -71.3 | 171.4 | 0 | 0 | 0 | 110.5 | V193 L214 Y218 | V193-L216 HydrophobicContact CG1-CD2 3.87Å; L214-L216 PolarHBondContact O-N 3.18Å; L214-L216 VanDerWaalsContact O-N 3.09Å; L216-Y218 PolarHBondContact O-N 2.82Å | ||
| 217 | P | 60.7 | Low | 46 | Very low | 88 Ų | 88 | 112 Ų | 112 | 57% | 0.571 | 72% | 0.717 | S | S | * | * | trans | -76.7 | 60.2 | -178.1 | 33.3 | -37 | 0 | 0 | 0 | 111.7 | ||||
| 218 | Y | 60.4 | Low | 45.2 | Very low | 68 Ų | 68 | 107.3 Ų | 107.3 | 27% | 0.267 | 71% | 0.711 | S | S | . | * | trans | -74.8 | 121.3 | 175.5 | 179.2 | -86.3 | 0 | 0 | 0 | 109.8 | H175 F176 L216 N220 | H175-Y218 WeakPolarHBondContact CA-OH 3.32Å; H175-Y218 HydrophobicContact CB-CE2 3.56Å; H175-Y218 AromaticContact CD2-CE1 3.53Å; H175-Y218 AromaticContact CD2-CE2 3.9Å; H175-Y218 AromaticContact CD2-CZ 3.56Å; H175-Y218 AromaticContact CG-CZ 3.75Å; F176-Y218 VanDerWaalsContact N-CE2 3.28Å; F176-Y218 PolarHBondContact N-OH 3.19Å; F176-Y218 WeakPolarHBondContact O-CE2 3.41Å; F176-Y218 PolarHBondContact O-OH 3.44Å; L216-Y218 PolarHBondContact O-N 2.82Å; Y218-N220 HydrophobicContact CE1-CB 4.23Å | ||
| 219 | F | 62 | Low | 44.8 | Very low | 76 Ų | 76 | 113.6 Ų | 113.6 | 33% | 0.333 | 71% | 0.712 | S | S | . | * | trans | -92 | 110.7 | -176.4 | -178.1 | -97.8 | 0 | 0 | 0 | 111.6 | F176 | F176-F219 HydrophobicContact CE1-CD1 4.18Å; F176-F219 HydrophobicContact CE2-CD1 4.12Å; F176-F219 AromaticContact CZ-CD1 3.51Å; F176-F219 HydrophobicContact CZ-CD1 3.51Å; F176-F219 HydrophobicContact CZ-CE1 4.07Å | ||
| 220 | N | 59 | Low | 44.4 | Very low | 111 Ų | 111 | 116 Ų | 116 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | trans | -87.3 | 115.2 | 171.1 | -162.4 | 68.8 | 0 | 0 | 0 | 110.2 | Y218 T222 | Y218-N220 HydrophobicContact CE1-CB 4.23Å; N220-T222 PolarHBondContact O-N 3.08Å | ||
| 221 | G | 46.8 | Very low | 44.3 | Very low | 32 Ų | 32 | 118.3 Ų | 118.3 | 33% | 0.33 | 72% | 0.724 | S | S | . | * | trans | -61.6 | 131.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 222 | T | 39.6 | Very low | 44 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | trans | 58 | 108.5 | 169.8 | 56.2 | 0 | 0 | 0 | 0 | 117.2 | N220 | N220-T222 PolarHBondContact O-N 3.08Š| ||
| 223 | G | 33.4 | Very low | 43.9 | Very low | 78 Ų | 78 | 131.3 Ų | 131.3 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | -129.2 | 101.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 224 | T | 39.6 | Very low | 43.6 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 90% | 0.902 | 73% | 0.731 | S | S | * | * | trans | -139.9 | 83.2 | 159.4 | 56 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 225 | A | 37.1 | Very low | 43.1 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 84% | 0.835 | 72% | 0.718 | S | S | * | * | trans | -156.8 | 124.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 226 | Q | 40 | Very low | 43.1 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | trans | -77.4 | 127.4 | 176.4 | -73.1 | -82 | -16.6 | 0 | 0 | 110.9 | G228 | Q226-G228 PolarHBondContact O-N 3.24Š| ||
| 227 | K | 42.5 | Very low | 42.2 | Very low | 191 Ų | 191 | 135 Ų | 135 | 83% | 0.83 | 73% | 0.734 | S | S | * | * | trans | 1.3 | 110.7 | 149.6 | 22 | -172.2 | 168.7 | -172.6 | 0 | 116.2 | ||||
| 228 | G | 29.7 | Very low | 41.1 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | trans | -125.7 | 137.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q226 | Q226-G228 PolarHBondContact O-N 3.24Š| ||
| 229 | R | 36.9 | Very low | 39.8 | Very low | 240 Ų | 240 | 139.9 Ų | 139.9 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 139.6 | -171.7 | -174.9 | 179.2 | -177.3 | 179.5 | 2 | 113.8 | R231 | R229-R231 PolarHBondContact O-N 3.35Š|
| 230 | P | 40.3 | Very low | 38.6 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 127.7 | 178.1 | -20.1 | 31.7 | 0 | 0 | 0 | 112.4 | ||
| 231 | R | 39.4 | Very low | 37.3 | Very low | 250 Ų | 250 | 145.6 Ų | 145.6 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 119.6 | 173.2 | -136.5 | 178.3 | -163.7 | -172.3 | 4.4 | 110.2 | R229 | R229-R231 PolarHBondContact O-N 3.35Š|
| 232 | K | 36 | Very low | 36.7 | Very low | 205 Ų | 205 | 151.6 Ų | 151.6 | 89% | 0.891 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 129.6 | -175 | -172.1 | 172.7 | -178.9 | 175 | 0 | 111.8 | ||
| 233 | R | 36.1 | Very low | 37.1 | Very low | 231 Ų | 231 | 150.3 Ų | 150.3 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 135.9 | 174 | -160.9 | -178.5 | -171.7 | -144.7 | 4.9 | 109.8 | ||
| 234 | K | 31.1 | Very low | 36.9 | Very low | 203 Ų | 203 | 151.9 Ų | 151.9 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -142.7 | 128.5 | 162.7 | -168.7 | 70.1 | 178.4 | -179.4 | 0 | 108.9 | ||||
| 235 | S | 31 | Very low | 36.5 | Very low | 89 Ų | 89 | 155.8 Ų | 155.8 | 62% | 0.622 | 82% | 0.818 | S | S | * | * | trans | -110.9 | 172.3 | 178.1 | 56.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 236 | P | 48.6 | Very low | 36.4 | Very low | 125 Ų | 125 | 157.8 Ų | 157.8 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | -95.4 | 175.8 | -128.3 | 39 | -41.9 | 0 | 0 | 0 | 115.1 | |||||
| 237 | A | 35.4 | Very low | 35.9 | Very low | 101 Ų | 101 | 156.4 Ų | 156.4 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -133.5 | 152.8 | 166 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 238 | M | 37.3 | Very low | 35.3 | Very low | 198 Ų | 198 | 150.6 Ų | 150.6 | 98% | 0.975 | 81% | 0.812 | S | S | * | * | trans | -108.9 | 166.4 | -173.9 | -67.8 | -140.4 | 172.8 | 0 | 0 | 113.2 | ||||
| 239 | G | 34 | Very low | 35.2 | Very low | 61 Ų | 61 | 152.8 Ų | 152.8 | 63% | 0.629 | 81% | 0.814 | S | S | * | * | trans | 138.4 | 103 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 240 | I | 36.1 | Very low | 34.9 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | 71.1 | 117.5 | 75 | -63.5 | 168.5 | 0 | 0 | 0 | 108.7 | |||||
| 241 | D | 32.3 | Very low | 34.5 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -143.5 | -177.8 | 41.4 | -91 | -56.5 | 0 | 0 | 0 | 116.8 | ||||
| 242 | I | 33.6 | Very low | 34.2 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -150.6 | 158.9 | -167.4 | -84.3 | 171.3 | 0 | 0 | 0 | 108.2 | ||||
| 243 | P | 48.2 | Very low | 34.2 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | cis | -138.8 | -175.2 | 15.3 | 42.5 | -23.3 | 0 | 0 | 0 | 118.4 | ||||
| 244 | S | 30 | Very low | 33.9 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 68.2 | 153.4 | 144.3 | -71.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 245 | Y | 31 | Very low | 34 | Very low | 228 Ų | 228 | 134 Ų | 134 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | cis | -143.9 | -177.2 | 22.9 | 56.5 | -88.1 | 0 | 0 | 0 | 114.3 | ||||
| 246 | N | 34.4 | Very low | 34.3 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -111.2 | -178.5 | -167.9 | -173.3 | 23.3 | 0 | 0 | 0 | 113.2 | ||||
| 247 | T | 31.3 | Very low | 33.9 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | 94 | 136.5 | 169.9 | -32.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 248 | G | 28.6 | Very low | 33.8 | Very low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -171.1 | -165.5 | 0.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 249 | C | 28.5 | Very low | 33.6 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -71.3 | 176.2 | 176.6 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 250 | N | 30.4 | Very low | 33.5 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | cis | -163.6 | 178.1 | 21.2 | -154.8 | 23.4 | 0 | 0 | 0 | 113 | ||||
| 251 | E | 32.1 | Very low | 33.3 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | trans | -4.1 | 138.1 | 160.7 | -64.4 | 163.9 | 132.3 | 0 | 0 | 119.5 | ||||
| 252 | N | 32 | Very low | 33.4 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | -176 | 178.6 | 67.4 | -128.9 | 3.2 | 0 | 0 | 0 | 114.4 | |||||
| 253 | D | 36 | Very low | 33.4 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | -39.1 | 150.5 | 177.1 | -81.9 | -110.1 | 0 | 0 | 0 | 120.2 | ||||
| 254 | T | 31.1 | Very low | 32.6 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | 174.5 | 145.5 | 117 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 255 | D | 33.2 | Very low | 33.1 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -55.3 | 154.3 | 171.8 | -93.9 | -84.7 | 0 | 0 | 0 | 115.4 | ||||
| 256 | H | 36.6 | Very low | 33.5 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | 161.1 | 116.3 | 122.3 | -170.2 | -89.9 | 0 | 0 | 0 | 115.4 | |||||
| 257 | L | 39.6 | Very low | 33.8 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | trans | 26.4 | 132.9 | 151.8 | -50 | -176 | 0 | 0 | 0 | 125.2 | ||||
| 258 | D | 33.3 | Very low | 34.7 | Very low | 126 Ų | 126 | 141 Ų | 141 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | trans | 81.2 | 147.6 | 133.5 | -153 | -140.3 | 0 | 0 | 0 | 123 | ||||
| 259 | R | 32.8 | Very low | 35.4 | Very low | 195 Ų | 195 | 147.3 Ų | 147.3 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 78.5 | 85.7 | 150.5 | -144.5 | 66.4 | 68 | 156.5 | 8.9 | 122.1 | ||||
| 260 | D | 31.7 | Very low | 36.7 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | 77.1 | 141.2 | 124.2 | -134.5 | -55.1 | 0 | 0 | 0 | 122.2 | |||||
| 261 | Q | 33.3 | Very low | 37.6 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 66% | 0.659 | 78% | 0.777 | S | S | * | * | trans | 108.2 | 128.6 | 138.8 | -151.2 | 80.1 | 149.3 | 0 | 0 | 120.2 | ||||
| 262 | Q | 34.2 | Very low | 38.4 | Very low | 166 Ų | 166 | 155.5 Ų | 155.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 87.6 | 133.4 | 153.6 | -88.3 | 134.5 | 9.5 | 0 | 0 | 124 | ||||
| 263 | A | 32.5 | Very low | 39.2 | Very low | 95 Ų | 95 | 157 Ų | 157 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 69.7 | 89.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | A265 | A263-A265 PolarHBondContact O-N 3.05Š| ||
| 264 | Y | 31.8 | Very low | 40.3 | Very low | 243 Ų | 243 | 161.3 Ų | 161.3 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -72.4 | 105.6 | 160.4 | -99.7 | -92.6 | 0 | 0 | 0 | 112.2 | ||||
| 265 | A | 40.7 | Very low | 41.7 | Very low | 78 Ų | 78 | 160.3 Ų | 160.3 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | trans | -81 | 149.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A263 T267 | A263-A265 PolarHBondContact O-N 3.05Å; A265-T267 PolarHBondContact O-N 3.13Å; A265-T267 VanDerWaalsContact O-N 3.07Å | ||
| 266 | P | 39.9 | Very low | 43.3 | Very low | 129 Ų | 129 | 158.2 Ų | 158.2 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -78.2 | 98.7 | -173.8 | 30.6 | -34.3 | 0 | 0 | 0 | 111.9 | Q268 | P266-Q268 PolarHBondContact O-N 2.98Š| ||
| 267 | T | 40.5 | Very low | 45.5 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -67.2 | 127.9 | 176.8 | -148.7 | 0 | 0 | 0 | 0 | 111.6 | A265 K269 | A265-T267 PolarHBondContact O-N 3.13Å; A265-T267 VanDerWaalsContact O-N 3.07Å; T267-K269 PolarHBondContact O-N 3.16Å | ||
| 268 | Q | 50.5 | Low | 47.4 | Very low | 180 Ų | 180 | 153.8 Ų | 153.8 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | trans | -72.2 | 113.2 | 174.4 | -63.8 | -174.8 | 20.3 | 0 | 0 | 108.9 | P266 T270 | P266-Q268 PolarHBondContact O-N 2.98Å; Q268-T270 PolarHBondContact O-N 2.95Å | ||
| 269 | K | 42 | Very low | 49.7 | Very low | 201 Ų | 201 | 155.2 Ų | 155.2 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -66.3 | 102 | -180 | -68.2 | -178.7 | 180 | 176 | 0 | 110.4 | T267 K271 | T267-K269 PolarHBondContact O-N 3.16Å; K269-K271 PolarHBondContact O-N 2.86Å | ||
| 270 | T | 56.3 | Low | 52.2 | Low | 128 Ų | 128 | 151.5 Ų | 151.5 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -62.1 | 125.1 | 169.4 | 47.7 | 0 | 0 | 0 | 0 | 109.7 | Q268 R272 | Q268-T270 PolarHBondContact O-N 2.95Å; T270-R272 PolarHBondContact O-N 2.98Å; T270-R272 VanDerWaalsContact O-N 3.07Å | ||
| 271 | K | 49.8 | Very low | 54.6 | Low | 202 Ų | 202 | 147 Ų | 147 | 88% | 0.878 | 73% | 0.729 | S | S | * | * | trans | -67.7 | 107.8 | 179.6 | -164.2 | 175.7 | -172.8 | 177.7 | 0 | 107.9 | K269 M273 | K269-K271 PolarHBondContact O-N 2.86Å; K271-M273 PolarHBondContact O-N 2.85Å | ||
| 272 | R | 49.8 | Very low | 57 | Low | 241 Ų | 241 | 143.1 Ų | 143.1 | 91% | 0.909 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 125.5 | -178.3 | -67.7 | -170.3 | -171.1 | -158.3 | 3.1 | 109.7 | T270 R274 | T270-R272 PolarHBondContact O-N 2.98Å; T270-R272 VanDerWaalsContact O-N 3.07Å; R272-R274 PolarHBondContact O-N 3.33Å |
| 273 | M | 48.2 | Very low | 59.3 | Low | 180 Ų | 180 | 143 Ų | 143 | 89% | 0.887 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 135.2 | -178.2 | -26 | -168.7 | -150.7 | 0 | 0 | 109.2 | K271 T275 | K271-M273 PolarHBondContact O-N 2.85Å; M273-T275 PolarHBondContact O-N 3.25Å |
| 274 | R | 58 | Low | 61.7 | Low | 237 Ų | 237 | 139.7 Ų | 139.7 | 89% | 0.894 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 125.1 | 173.5 | -168.4 | 178.7 | -169.3 | 176.7 | 4.2 | 108.2 | R272 S276 | R272-R274 PolarHBondContact O-N 3.33Å; R274-S276 PolarHBondContact O-N 3.22Å; R274-S276 VanDerWaalsContact O-N 3.08Å |
| 275 | T | 60.4 | Low | 64.2 | Low | 115 Ų | 115 | 128.6 Ų | 128.6 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | trans | -58.5 | 113.9 | 178.1 | 50.8 | 0 | 0 | 0 | 0 | 110.1 | M273 | M273-T275 PolarHBondContact O-N 3.25Š| ||
| 276 | S | 68.3 | Low | 66.1 | Low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 136 | 176.8 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | R274 | R274-S276 PolarHBondContact O-N 3.22Å; R274-S276 VanDerWaalsContact O-N 3.08Å |
| 277 | F | 81.1 | Confident | 68 | Low | 47 Ų | 47 | 126.8 Ų | 126.8 | 21% | 0.206 | 61% | 0.605 | C | S | . | * | P | Polyproline II helix | trans | -84.1 | 131.6 | 178.4 | -63.5 | -71.8 | 0 | 0 | 0 | 111 | L282 L309 V313 I319 | F277-L282 HydrophobicContact CB-CD1 4.24Å; F277-L282 HydrophobicContact CB-CD2 3.72Å; F277-L282 HydrophobicContact CB-CG 3.73Å; F277-L282 HydrophobicContact CD2-CD2 4.25Å; F277-L282 HydrophobicContact CG-CD2 4.14Å; F277-L309 HydrophobicContact CD1-CD1 3.79Å; F277-L309 HydrophobicContact CD1-CD2 4.02Å; F277-L309 HydrophobicContact CE1-CD1 3.68Å; F277-L309 HydrophobicContact CE1-CD2 3.87Å; F277-L309 HydrophobicContact CE1-CG 4.44Å; F277-V313 HydrophobicContact CE1-CG1 3.58Å; F277-V313 HydrophobicContact CZ-CG1 3.68Å; F277-I319 HydrophobicContact CE2-CD1 4Å; F277-I319 HydrophobicContact CE2-CG1 4.14Å; F277-I319 HydrophobicContact CE2-CG2 4.36Å; F277-I319 HydrophobicContact CZ-CD1 3.59Å; F277-I319 HydrophobicContact CZ-CG1 4.25Å |
| 278 | K | 80.9 | Confident | 69.8 | Low | 162 Ų | 162 | 122.4 Ų | 122.4 | 70% | 0.704 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -67 | 148.6 | 171.5 | -68.3 | -175.8 | 177.9 | -178 | 0 | 110 | H280 Q281 L282 | K278-H280 PolarHBondContact O-N 3.21Å; K278-H280 VanDerWaalsContact O-N 3.13Å; K278-Q281 HydrophobicContact CB-CG 4.32Å; K278-Q281 WeakPolarHBondContact O-CB 3.34Å; K278-Q281 PolarHBondContact O-N 3.49Å; K278-L282 PolarHBondContact O-N 3.29Å |
| 279 | H | 82.1 | Confident | 71.4 | Confident | 157 Ų | 157 | 114.7 Ų | 114.7 | 73% | 0.727 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -53.5 | -38.2 | -177.3 | -173 | 79.4 | 0 | 0 | 0 | 113.5 | L282 R283 | H279-L282 PolarHBondContact O-N 2.9Å; H279-R283 PolarHBondContact O-N 2.88Å |
| 280 | H | 84.8 | Confident | 73 | Confident | 116 Ų | 116 | 108.6 Ų | 108.6 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 173.9 | 175.7 | 78 | 0 | 0 | 0 | 112.7 | K278 L282 R283 T284 | K278-H280 PolarHBondContact O-N 3.21Å; K278-H280 VanDerWaalsContact O-N 3.13Å; H280-L282 PolarHBondContact O-N 3.05Å; H280-R283 PolarHBondContact O-N 3Å; H280-T284 PolarHBondContact CE1-OG1 3.01Å; H280-T284 PolarHBondContact NE2-OG1 3Å; H280-T284 WeakPolarHBondContact O-CB 3.24Å; H280-T284 PolarHBondContact O-N 3.27Å; H280-T284 PolarHBondContact O-OG1 3.24Å; H280-T284 VanDerWaalsContact O-OG1 3.07Å |
| 281 | Q | 81.9 | Confident | 74 | Confident | 30 Ų | 30 | 108.9 Ų | 108.9 | 14% | 0.14 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | -179.8 | -62.5 | 171.7 | -44 | 0 | 0 | 110.7 | K278 R283 T284 M285 T307 L309 | K278-Q281 HydrophobicContact CB-CG 4.32Å; K278-Q281 WeakPolarHBondContact O-CB 3.34Å; K278-Q281 PolarHBondContact O-N 3.49Å; Q281-R283 PolarHBondContact O-N 2.91Å; Q281-T284 PolarHBondContact O-N 3.12Å; Q281-M285 WeakPolarHBondContact O-CB 3.38Å; Q281-M285 VanDerWaalsContact O-CG 3.29Å; Q281-M285 WeakPolarHBondContact O-CG 3.31Å; Q281-M285 PolarHBondContact O-N 3.45Å; Q281-T307 WeakPolarHBondContact CG-O 3.23Å; Q281-T307 PolarHBondContact NE2-O 3Å; Q281-L309 HydrophobicContact CB-CD1 4.26Å |
| 282 | L | 84.1 | Confident | 75.1 | Confident | 61 Ų | 61 | 102.7 Ų | 102.7 | 32% | 0.319 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 175.9 | -66.7 | 174.3 | 0 | 0 | 0 | 112.4 | F277 K278 H279 H280 K286 | F277-L282 HydrophobicContact CB-CD1 4.24Å; F277-L282 HydrophobicContact CB-CD2 3.72Å; F277-L282 HydrophobicContact CB-CG 3.73Å; F277-L282 HydrophobicContact CD2-CD2 4.25Å; F277-L282 HydrophobicContact CG-CD2 4.14Å; K278-L282 PolarHBondContact O-N 3.29Å; H279-L282 PolarHBondContact O-N 2.9Å; H280-L282 PolarHBondContact O-N 3.05Å; L282-K286 WeakPolarHBondContact O-CB 3.42Å; L282-K286 VanDerWaalsContact O-CG 3.24Å; L282-K286 WeakPolarHBondContact O-CG 3.43Å; L282-K286 PolarHBondContact O-N 3.2Å |
| 283 | R | 81.5 | Confident | 76.3 | Confident | 163 Ų | 163 | 96.7 Ų | 96.7 | 62% | 0.615 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.2 | -49.7 | 177.7 | -171.3 | -179.2 | -66.2 | -174.7 | -1.7 | 111.2 | H279 H280 Q281 M285 K286 S287 | H279-R283 PolarHBondContact O-N 2.88Å; H280-R283 PolarHBondContact O-N 3Å; Q281-R283 PolarHBondContact O-N 2.91Å; R283-M285 PolarHBondContact O-N 3.45Å; R283-K286 PolarHBondContact O-N 2.91Å; R283-S287 PolarHBondContact O-N 3.13Å; R283-S287 PolarHBondContact O-OG 3.11Å; R283-S287 VanDerWaalsContact O-OG 3.13Å |
| 284 | T | 83.7 | Confident | 77.6 | Confident | 25 Ų | 25 | 95.4 Ų | 95.4 | 15% | 0.153 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | -179.8 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | H280 Q281 S287 Y288 L303 K306 T307 | H280-T284 PolarHBondContact CE1-OG1 3.01Å; H280-T284 PolarHBondContact NE2-OG1 3Å; H280-T284 WeakPolarHBondContact O-CB 3.24Å; H280-T284 PolarHBondContact O-N 3.27Å; H280-T284 PolarHBondContact O-OG1 3.24Å; H280-T284 VanDerWaalsContact O-OG1 3.07Å; Q281-T284 PolarHBondContact O-N 3.12Å; T284-S287 PolarHBondContact O-OG 3.5Å; T284-Y288 PolarHBondContact O-N 3.06Å; T284-L303 HydrophobicContact CG2-CD1 4.4Å; T284-K306 HydrophobicContact CG2-CB 4.26Å; T284-T307 HydrophobicContact CG2-CG2 3.89Å |
| 285 | M | 83.6 | Confident | 78.5 | Confident | 10 Ų | 10 | 85.6 Ų | 85.6 | 5% | 0.049 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.5 | -50.9 | 173 | -71.3 | 174.3 | 69.2 | 0 | 0 | 111.1 | Q281 R283 S287 Y288 F289 L303 T307 L309 L314 I319 | Q281-M285 WeakPolarHBondContact O-CB 3.38Å; Q281-M285 VanDerWaalsContact O-CG 3.29Å; Q281-M285 WeakPolarHBondContact O-CG 3.31Å; Q281-M285 PolarHBondContact O-N 3.45Å; R283-M285 PolarHBondContact O-N 3.45Å; M285-S287 PolarHBondContact O-N 3.22Å; M285-Y288 PolarHBondContact O-N 3.09Å; M285-Y288 VanDerWaalsContact O-N 3.09Å; M285-F289 HydrophobicContact CB-CD2 4.34Å; M285-F289 HydrophobicContact CB-CE2 4.44Å; M285-F289 HydrophobicContact CE-CE2 4.34Å; M285-F289 VanDerWaalsContact O-CD2 3.24Å; M285-F289 WeakPolarHBondContact O-CD2 3.24Å; M285-F289 PolarHBondContact O-N 3.25Å; M285-L303 HydrophobicContact CG-CD2 4.33Å; M285-T307 HydrophobicContact CG-CG2 4.23Å; M285-L309 HydrophobicContact SD-CD1 3.82Å; M285-L314 HydrophobicContact CE-CD2 3.69Å; M285-L314 HydrophobicContact CG-CD2 4.14Å; M285-L314 HydrophobicContact SD-CD2 3.72Å; M285-I319 HydrophobicContact CE-CG2 3.87Å |
| 286 | K | 81.6 | Confident | 79.5 | Confident | 99 Ų | 99 | 84.9 Ų | 84.9 | 43% | 0.43 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.2 | -44.6 | -178.9 | -75.5 | 176.7 | -179.3 | -166.8 | 0 | 113 | L282 R283 Y288 A290 Y323 | L282-K286 WeakPolarHBondContact O-CB 3.42Å; L282-K286 VanDerWaalsContact O-CG 3.24Å; L282-K286 WeakPolarHBondContact O-CG 3.43Å; L282-K286 PolarHBondContact O-N 3.2Å; R283-K286 PolarHBondContact O-N 2.91Å; K286-Y288 PolarHBondContact O-N 2.96Å; K286-A290 WeakPolarHBondContact O-CB 3.49Å; K286-A290 PolarHBondContact O-N 3.4Å; K286-A290 VanDerWaalsContact O-N 3.15Å; K286-Y323 VanDerWaalsContact CE-CZ 3.47Å; K286-Y323 WeakPolarHBondContact CE-OH 3.44Å; K286-Y323 PolarHBondContact NZ-OH 2.97Å |
| 287 | S | 79.7 | Confident | 80 | Confident | 70 Ų | 70 | 82 Ų | 82 | 49% | 0.49 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.9 | -30.5 | 177.8 | 52 | 0 | 0 | 0 | 0 | 113.2 | R283 T284 M285 | R283-S287 PolarHBondContact O-N 3.13Å; R283-S287 PolarHBondContact O-OG 3.11Å; R283-S287 VanDerWaalsContact O-OG 3.13Å; T284-S287 PolarHBondContact O-OG 3.5Å; M285-S287 PolarHBondContact O-N 3.22Å |
| 288 | Y | 78.3 | Confident | 80 | Confident | 34 Ų | 34 | 87.7 Ų | 87.7 | 13% | 0.133 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -79.6 | -49.8 | -179.5 | -169.1 | -80.7 | 0 | 0 | 0 | 111.6 | T284 M285 K286 A290 I291 N292 P295 D299 L303 | T284-Y288 PolarHBondContact O-N 3.06Å; M285-Y288 PolarHBondContact O-N 3.09Å; M285-Y288 VanDerWaalsContact O-N 3.09Å; K286-Y288 PolarHBondContact O-N 2.96Å; Y288-A290 PolarHBondContact O-N 2.91Å; Y288-I291 PolarHBondContact O-N 3.43Å; Y288-N292 HydrophobicContact CD1-CB 4.48Å; Y288-N292 HydrophobicContact CE1-CB 3.73Å; Y288-N292 PolarHBondContact O-N 3.49Å; Y288-N292 PolarHBondContact OH-ND2 3.18Å; Y288-P295 HydrophobicContact CE1-CB 4.09Å; Y288-D299 HydrophobicContact CE1-CB 4.29Å; Y288-D299 VanDerWaalsContact OH-CB 3.22Å; Y288-D299 WeakPolarHBondContact OH-CB 3.46Å; Y288-D299 PolarHBondContact OH-OD1 3.01Å; Y288-L303 HydrophobicContact CD1-CD1 4.31Å; Y288-L303 HydrophobicContact CD1-CD2 4.48Å; Y288-L303 HydrophobicContact CD2-CD1 3.9Å; Y288-L303 HydrophobicContact CG-CD1 3.66Å |
| 289 | F | 82.8 | Confident | 80.1 | Confident | 18 Ų | 18 | 82.2 Ų | 82.2 | 8% | 0.079 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -70.4 | -15.3 | -178.8 | -73.3 | -72.1 | 0 | 0 | 0 | 114.3 | M285 I291 H293 P295 L303 L320 | M285-F289 HydrophobicContact CB-CD2 4.34Å; M285-F289 HydrophobicContact CB-CE2 4.44Å; M285-F289 HydrophobicContact CE-CE2 4.34Å; M285-F289 VanDerWaalsContact O-CD2 3.24Å; M285-F289 WeakPolarHBondContact O-CD2 3.24Å; M285-F289 PolarHBondContact O-N 3.25Å; F289-I291 VanDerWaalsContact C-N 3.25Å; F289-H293 PolarHBondContact O-CE1 3.23Å; F289-H293 VanDerWaalsContact O-CE1 3.27Å; F289-H293 PolarHBondContact O-ND1 3Å; F289-H293 VanDerWaalsContact O-ND1 3.12Å; F289-P295 HydrophobicContact CE1-CG 3.66Å; F289-P295 HydrophobicContact CZ-CG 4.2Å; F289-L303 HydrophobicContact CE2-CD2 3.76Å; F289-L303 HydrophobicContact CZ-CD2 4.16Å; F289-L320 HydrophobicContact CB-CD2 4.35Å; F289-L320 HydrophobicContact CD1-CD2 3.57Å; F289-L320 HydrophobicContact CD2-CD2 3.68Å; F289-L320 HydrophobicContact CE1-CD1 3.88Å; F289-L320 HydrophobicContact CE1-CD2 3.6Å; F289-L320 HydrophobicContact CE1-CG 4.38Å; F289-L320 HydrophobicContact CE2-CD2 3.77Å; F289-L320 HydrophobicContact CG-CD2 3.6Å; F289-L320 HydrophobicContact CZ-CD1 3.87Å; F289-L320 HydrophobicContact CZ-CD2 3.72Å; F289-L320 HydrophobicContact CZ-CG 4.29Å |
| 290 | A | 77.1 | Confident | 80.1 | Confident | 74 Ų | 74 | 75.3 Ų | 75.3 | 61% | 0.612 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -16.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K286 Y288 | K286-A290 WeakPolarHBondContact O-CB 3.49Å; K286-A290 PolarHBondContact O-N 3.4Å; K286-A290 VanDerWaalsContact O-N 3.15Å; Y288-A290 PolarHBondContact O-N 2.91Å |
| 291 | I | 76.9 | Confident | 80 | Confident | 133 Ų | 133 | 77.3 Ų | 77.3 | 68% | 0.682 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -47.6 | -179.4 | -56.7 | 172.2 | 0 | 0 | 0 | 109.8 | Y288 F289 | Y288-I291 PolarHBondContact O-N 3.43Å; F289-I291 VanDerWaalsContact C-N 3.25Å |
| 292 | N | 73.3 | Confident | 80.1 | Confident | 72 Ų | 72 | 80.1 Ų | 80.1 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | trans | -117.5 | 98.8 | -179.2 | -71.2 | -34.2 | 0 | 0 | 0 | 110.7 | Y288 N294 | Y288-N292 HydrophobicContact CD1-CB 4.48Å; Y288-N292 HydrophobicContact CE1-CB 3.73Å; Y288-N292 PolarHBondContact O-N 3.49Å; Y288-N292 PolarHBondContact OH-ND2 3.18Å; N292-N294 VanDerWaalsContact C-N 3.27Å; N292-N294 PolarHBondContact O-N 3.22Å | ||
| 293 | H | 73.8 | Confident | 80.1 | Confident | 116 Ų | 116 | 77.4 Ų | 77.4 | 54% | 0.537 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -72.3 | -14.9 | 179.6 | -75.1 | -61.2 | 0 | 0 | 0 | 114.7 | F289 T326 | F289-H293 PolarHBondContact O-CE1 3.23Å; F289-H293 VanDerWaalsContact O-CE1 3.27Å; F289-H293 PolarHBondContact O-ND1 3Å; F289-H293 VanDerWaalsContact O-ND1 3.12Å; H293-T326 HydrophobicContact CB-CG2 3.76Å |
| 294 | N | 76.6 | Confident | 80.4 | Confident | 152 Ų | 152 | 70.6 Ų | 70.6 | 81% | 0.813 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -136.2 | 80.2 | 179.8 | -170.1 | 57.1 | 0 | 0 | 0 | 110.5 | N292 | N292-N294 VanDerWaalsContact C-N 3.27Å; N292-N294 PolarHBondContact O-N 3.22Å |
| 295 | P | 75.7 | Confident | 80.5 | Confident | 31 Ų | 31 | 77.3 Ų | 77.3 | 20% | 0.201 | 40% | 0.404 | C | S | . | . | trans | -67.6 | 136.9 | -176.7 | 27.6 | -35.8 | 0 | 0 | 0 | 112.4 | Y288 F289 D299 L300 | Y288-P295 HydrophobicContact CE1-CB 4.09Å; F289-P295 HydrophobicContact CE1-CG 3.66Å; F289-P295 HydrophobicContact CZ-CG 4.2Å; P295-D299 HydrophobicContact CB-CB 3.73Å; P295-L300 HydrophobicContact CG-CD1 4.33Å | ||
| 296 | D | 81.4 | Confident | 80.5 | Confident | 100 Ų | 100 | 82.4 Ų | 82.4 | 54% | 0.535 | 43% | 0.426 | S | S | . | . | trans | -74.3 | 168.4 | 172.2 | 177.1 | 47.9 | 0 | 0 | 0 | 111.8 | K298 D299 L300 | D296-K298 PolarHBondContact O-N 3.15Å; D296-K298 VanDerWaalsContact O-N 3.13Å; D296-K298 PolarHBondContact OD2-N 3.05Å; D296-D299 PolarHBondContact N-OD2 3.38Å; D296-D299 WeakPolarHBondContact O-CB 3.29Å; D296-D299 PolarHBondContact O-N 2.82Å; D296-D299 VanDerWaalsContact O-N 3.08Å; D296-L300 WeakPolarHBondContact O-CB 3.38Å; D296-L300 PolarHBondContact O-N 2.99Å | ||
| 297 | A | 78.6 | Confident | 80.5 | Confident | 53 Ų | 53 | 78.1 Ų | 78.1 | 44% | 0.438 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -51.5 | -32.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | K301 | A297-K301 PolarHBondContact O-N 3.27Å |
| 298 | K | 82.1 | Confident | 80.6 | Confident | 166 Ų | 166 | 78.1 Ų | 78.1 | 72% | 0.722 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -70.7 | -45 | 175.6 | -167 | 179.6 | -176.2 | -178.3 | 0 | 112.4 | D296 K301 Q302 | D296-K298 PolarHBondContact O-N 3.15Å; D296-K298 VanDerWaalsContact O-N 3.13Å; D296-K298 PolarHBondContact OD2-N 3.05Å; K298-K301 WeakPolarHBondContact O-CB 3.46Å; K298-K301 PolarHBondContact O-N 3.09Å; K298-Q302 PolarHBondContact O-N 3.28Å; K298-Q302 VanDerWaalsContact O-N 3.12Å |
| 299 | D | 82.6 | Confident | 80.8 | Confident | 47 Ų | 47 | 77.7 Ų | 77.7 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 178.1 | -64.8 | -50 | 0 | 0 | 0 | 111.6 | Y288 P295 D296 K301 Q302 L303 | Y288-D299 HydrophobicContact CE1-CB 4.29Å; Y288-D299 VanDerWaalsContact OH-CB 3.22Å; Y288-D299 WeakPolarHBondContact OH-CB 3.46Å; Y288-D299 PolarHBondContact OH-OD1 3.01Å; P295-D299 HydrophobicContact CB-CB 3.73Å; D296-D299 PolarHBondContact N-OD2 3.38Å; D296-D299 WeakPolarHBondContact O-CB 3.29Å; D296-D299 PolarHBondContact O-N 2.82Å; D296-D299 VanDerWaalsContact O-N 3.08Å; D299-K301 PolarHBondContact O-N 3.37Å; D299-Q302 WeakPolarHBondContact O-CB 3.47Å; D299-Q302 PolarHBondContact O-N 3.38Å; D299-L303 WeakPolarHBondContact O-CB 3.41Å; D299-L303 PolarHBondContact O-N 2.99Å |
| 300 | L | 83.1 | Confident | 80.7 | Confident | 11 Ų | 11 | 81.1 Ų | 81.1 | 6% | 0.058 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65 | -30.5 | -179.4 | -157.2 | 65.4 | 0 | 0 | 0 | 112 | P295 D296 A304 K311 L314 Q315 | P295-L300 HydrophobicContact CG-CD1 4.33Å; D296-L300 WeakPolarHBondContact O-CB 3.38Å; D296-L300 PolarHBondContact O-N 2.99Å; L300-A304 VanDerWaalsContact O-CB 3.32Å; L300-A304 WeakPolarHBondContact O-CB 3.36Å; L300-A304 PolarHBondContact O-N 3.32Å; L300-K311 HydrophobicContact CD2-CD 4.2Å; L300-K311 VanDerWaalsContact CD2-CE 3.47Å; L300-K311 HydrophobicContact CD2-CG 3.61Å; L300-K311 HydrophobicContact CG-CG 3.96Å; L300-L314 HydrophobicContact CD1-CB 3.65Å; L300-L314 HydrophobicContact CD1-CD1 4.43Å; L300-L314 HydrophobicContact CG-CB 4.4Å; L300-Q315 HydrophobicContact CD2-CG 3.36Å; L300-Q315 HydrophobicContact CG-CG 4.48Å |
| 301 | K | 82.7 | Confident | 80.6 | Confident | 159 Ų | 159 | 82 Ų | 82 | 69% | 0.691 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -68.5 | -42.9 | 170.6 | -172.6 | 179.2 | -178.9 | -179.2 | 0 | 111.4 | A297 K298 D299 A304 Q305 | A297-K301 PolarHBondContact O-N 3.27Å; K298-K301 WeakPolarHBondContact O-CB 3.46Å; K298-K301 PolarHBondContact O-N 3.09Å; D299-K301 PolarHBondContact O-N 3.37Å; K301-A304 PolarHBondContact O-N 3.47Å; K301-Q305 PolarHBondContact O-N 3.46Å; K301-Q305 VanDerWaalsContact O-N 3.11Å |
| 302 | Q | 83.3 | Confident | 80.5 | Confident | 89 Ų | 89 | 85.9 Ų | 85.9 | 42% | 0.416 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 176.5 | -162.5 | -167 | 70.7 | 0 | 0 | 111.8 | K298 D299 Q305 K306 | K298-Q302 PolarHBondContact O-N 3.28Å; K298-Q302 VanDerWaalsContact O-N 3.12Å; D299-Q302 WeakPolarHBondContact O-CB 3.47Å; D299-Q302 PolarHBondContact O-N 3.38Å; Q302-Q305 PolarHBondContact O-N 2.96Å; Q302-K306 HydrophobicContact CG-CD 4.35Å; Q302-K306 WeakPolarHBondContact O-CG 3.32Å; Q302-K306 PolarHBondContact O-N 3.13Å |
| 303 | L | 84.6 | Confident | 80.5 | Confident | 3 Ų | 3 | 84.5 Ų | 84.5 | 2% | 0.016 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.9 | -37.1 | 179.2 | -154.6 | 74.7 | 0 | 0 | 0 | 111.6 | T284 M285 Y288 F289 D299 K306 T307 L314 | T284-L303 HydrophobicContact CG2-CD1 4.4Å; M285-L303 HydrophobicContact CG-CD2 4.33Å; Y288-L303 HydrophobicContact CD1-CD1 4.31Å; Y288-L303 HydrophobicContact CD1-CD2 4.48Å; Y288-L303 HydrophobicContact CD2-CD1 3.9Å; Y288-L303 HydrophobicContact CG-CD1 3.66Å; F289-L303 HydrophobicContact CE2-CD2 3.76Å; F289-L303 HydrophobicContact CZ-CD2 4.16Å; D299-L303 WeakPolarHBondContact O-CB 3.41Å; D299-L303 PolarHBondContact O-N 2.99Å; L303-K306 PolarHBondContact O-N 2.96Å; L303-T307 WeakPolarHBondContact O-CB 3.29Å; L303-T307 WeakPolarHBondContact O-CG2 3.48Å; L303-T307 PolarHBondContact O-N 2.98Å; L303-T307 PolarHBondContact O-OG1 3.12Å; L303-L314 HydrophobicContact CB-CD1 4.03Å; L303-L314 HydrophobicContact CD2-CD1 4.32Å; L303-L314 HydrophobicContact CD2-CD2 4.32Å; L303-L314 HydrophobicContact CG-CD1 4.33Å |
| 304 | A | 86.3 | Confident | 80.6 | Confident | 20 Ų | 20 | 79.1 Ų | 79.1 | 17% | 0.165 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59 | -48.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L300 K301 K306 T307 G308 L309 L314 | L300-A304 VanDerWaalsContact O-CB 3.32Å; L300-A304 WeakPolarHBondContact O-CB 3.36Å; L300-A304 PolarHBondContact O-N 3.32Å; K301-A304 PolarHBondContact O-N 3.47Å; A304-K306 PolarHBondContact O-N 3.07Å; A304-T307 PolarHBondContact O-N 3.39Å; A304-G308 WeakPolarHBondContact O-CA 3.2Å; A304-G308 PolarHBondContact O-N 3.41Å; A304-L309 VanDerWaalsContact CA-O 3.29Å; A304-L309 WeakPolarHBondContact CA-O 3.39Å; A304-L309 WeakPolarHBondContact CB-O 3.45Å; A304-L309 PolarHBondContact O-N 3.43Å; A304-L314 HydrophobicContact CB-CD1 3.93Å; A304-L314 VanDerWaalsContact N-CD1 3.34Å |
| 305 | Q | 86.1 | Confident | 80.3 | Confident | 167 Ų | 167 | 77.1 Ų | 77.1 | 78% | 0.78 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.7 | -39.9 | 178.7 | -170.2 | 176.4 | 2.9 | 0 | 0 | 112.7 | K301 Q302 | K301-Q305 PolarHBondContact O-N 3.46Å; K301-Q305 VanDerWaalsContact O-N 3.11Å; Q302-Q305 PolarHBondContact O-N 2.96Å |
| 306 | K | 83.5 | Confident | 79.7 | Confident | 116 Ų | 116 | 77 Ų | 77 | 50% | 0.504 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72.8 | -29 | 178.2 | -75.1 | 174.6 | 174.2 | 170.9 | 0 | 114.1 | T284 Q302 L303 A304 | T284-K306 HydrophobicContact CG2-CB 4.26Å; Q302-K306 HydrophobicContact CG-CD 4.35Å; Q302-K306 WeakPolarHBondContact O-CG 3.32Å; Q302-K306 PolarHBondContact O-N 3.13Å; L303-K306 PolarHBondContact O-N 2.96Å; A304-K306 PolarHBondContact O-N 3.07Å |
| 307 | T | 82.4 | Confident | 78.2 | Confident | 9 Ų | 9 | 80 Ų | 80 | 6% | 0.055 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -102.1 | -14.5 | -175.8 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | Q281 T284 M285 L303 A304 L309 | Q281-T307 WeakPolarHBondContact CG-O 3.23Å; Q281-T307 PolarHBondContact NE2-O 3Å; T284-T307 HydrophobicContact CG2-CG2 3.89Å; M285-T307 HydrophobicContact CG-CG2 4.23Å; L303-T307 WeakPolarHBondContact O-CB 3.29Å; L303-T307 WeakPolarHBondContact O-CG2 3.48Å; L303-T307 PolarHBondContact O-N 2.98Å; L303-T307 PolarHBondContact O-OG1 3.12Å; A304-T307 PolarHBondContact O-N 3.39Å; T307-L309 PolarHBondContact O-N 2.99Å; T307-L309 WeakPolarHBondContact OG1-CB 3.37Å; T307-L309 PolarHBondContact OG1-N 3.04Å |
| 308 | G | 81.8 | Confident | 76.6 | Confident | 70 Ų | 70 | 86.1 Ų | 86.1 | 72% | 0.722 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 14.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A304 | A304-G308 WeakPolarHBondContact O-CA 3.2Å; A304-G308 PolarHBondContact O-N 3.41Å |
| 309 | L | 83 | Confident | 75.2 | Confident | 25 Ų | 25 | 80.9 Ų | 80.9 | 13% | 0.131 | 41% | 0.406 | C | S | . | . | trans | -96.2 | 144.8 | 179.1 | -62 | 174 | 0 | 0 | 0 | 110.4 | F277 Q281 M285 A304 T307 V313 L314 | F277-L309 HydrophobicContact CD1-CD1 3.79Å; F277-L309 HydrophobicContact CD1-CD2 4.02Å; F277-L309 HydrophobicContact CE1-CD1 3.68Å; F277-L309 HydrophobicContact CE1-CD2 3.87Å; F277-L309 HydrophobicContact CE1-CG 4.44Å; Q281-L309 HydrophobicContact CB-CD1 4.26Å; M285-L309 HydrophobicContact SD-CD1 3.82Å; A304-L309 VanDerWaalsContact CA-O 3.29Å; A304-L309 WeakPolarHBondContact CA-O 3.39Å; A304-L309 WeakPolarHBondContact CB-O 3.45Å; A304-L309 PolarHBondContact O-N 3.43Å; T307-L309 PolarHBondContact O-N 2.99Å; T307-L309 WeakPolarHBondContact OG1-CB 3.37Å; T307-L309 PolarHBondContact OG1-N 3.04Å; L309-V313 HydrophobicContact CB-CG1 4.45Å; L309-V313 HydrophobicContact CD1-CG1 4.48Å; L309-V313 HydrophobicContact CD2-CG1 4.36Å; L309-L314 HydrophobicContact CB-CD2 4.11Å; L309-L314 HydrophobicContact CB-CG 4.2Å; L309-L314 HydrophobicContact CD1-CD2 3.87Å | ||
| 310 | T | 80.4 | Confident | 73.7 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 56% | 0.558 | 41% | 0.405 | S | S | * | . | trans | -71.5 | 151.5 | 177.3 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | R312 V313 L314 | T310-R312 PolarHBondContact O-N 2.68Å; T310-R312 VanDerWaalsContact O-N 3.12Å; T310-V313 WeakPolarHBondContact O-CB 3.48Å; T310-V313 PolarHBondContact O-N 3.34Å; T310-V313 WeakPolarHBondContact OG1-CG2 3.46Å; T310-L314 PolarHBondContact O-N 3.44Å | ||
| 311 | K | 74.9 | Confident | 71.8 | Confident | 91 Ų | 91 | 82.6 Ų | 82.6 | 40% | 0.396 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -50.3 | -39.8 | 177.7 | -167.6 | -178.9 | -179.3 | -178.3 | 0 | 112.4 | L300 V313 L314 Q315 | L300-K311 HydrophobicContact CD2-CD 4.2Å; L300-K311 VanDerWaalsContact CD2-CE 3.47Å; L300-K311 HydrophobicContact CD2-CG 3.61Å; L300-K311 HydrophobicContact CG-CG 3.96Å; K311-V313 PolarHBondContact O-N 3Å; K311-L314 PolarHBondContact O-N 3.47Å; K311-Q315 VanDerWaalsContact O-CG 3.31Å; K311-Q315 WeakPolarHBondContact O-CG 3.22Å; K311-Q315 PolarHBondContact O-N 2.88Å |
| 312 | R | 73.7 | Confident | 69.9 | Low | 215 Ų | 215 | 83 Ų | 83 | 81% | 0.811 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.1 | -36.6 | 177 | -176.3 | -179 | -75 | 176 | -3.6 | 113.1 | T310 Q315 G316 | T310-R312 PolarHBondContact O-N 2.68Å; T310-R312 VanDerWaalsContact O-N 3.12Å; R312-Q315 PolarHBondContact O-N 3.38Å; R312-G316 PolarHBondContact O-N 3.49Å |
| 313 | V | 74 | Confident | 68.1 | Low | 44 Ų | 44 | 85.5 Ų | 85.5 | 27% | 0.267 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.7 | -34.4 | 177.2 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | F277 L309 T310 K311 I319 | F277-V313 HydrophobicContact CE1-CG1 3.58Å; F277-V313 HydrophobicContact CZ-CG1 3.68Å; L309-V313 HydrophobicContact CB-CG1 4.45Å; L309-V313 HydrophobicContact CD1-CG1 4.48Å; L309-V313 HydrophobicContact CD2-CG1 4.36Å; T310-V313 WeakPolarHBondContact O-CB 3.48Å; T310-V313 PolarHBondContact O-N 3.34Å; T310-V313 WeakPolarHBondContact OG1-CG2 3.46Å; K311-V313 PolarHBondContact O-N 3Å; V313-I319 HydrophobicContact CG1-CD1 4.15Å; V313-I319 VanDerWaalsContact O-CD1 3.23Å; V313-I319 WeakPolarHBondContact O-CD1 3.47Å |
| 314 | L | 75.4 | Confident | 65.7 | Low | 3 Ų | 3 | 88 Ų | 88 | 2% | 0.016 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -77.1 | -21.3 | 176.5 | -60.6 | 176.6 | 0 | 0 | 0 | 113.6 | M285 L300 L303 A304 L309 T310 K311 | M285-L314 HydrophobicContact CE-CD2 3.69Å; M285-L314 HydrophobicContact CG-CD2 4.14Å; M285-L314 HydrophobicContact SD-CD2 3.72Å; L300-L314 HydrophobicContact CD1-CB 3.65Å; L300-L314 HydrophobicContact CD1-CD1 4.43Å; L300-L314 HydrophobicContact CG-CB 4.4Å; L303-L314 HydrophobicContact CB-CD1 4.03Å; L303-L314 HydrophobicContact CD2-CD1 4.32Å; L303-L314 HydrophobicContact CD2-CD2 4.32Å; L303-L314 HydrophobicContact CG-CD1 4.33Å; A304-L314 HydrophobicContact CB-CD1 3.93Å; A304-L314 VanDerWaalsContact N-CD1 3.34Å; L309-L314 HydrophobicContact CB-CD2 4.11Å; L309-L314 HydrophobicContact CB-CG 4.2Å; L309-L314 HydrophobicContact CD1-CD2 3.87Å; T310-L314 PolarHBondContact O-N 3.44Å; K311-L314 PolarHBondContact O-N 3.47Å |
| 315 | Q | 71.3 | Confident | 63.3 | Low | 110 Ų | 110 | 95.1 Ų | 95.1 | 51% | 0.514 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -7.5 | 174.6 | -73.1 | 174.7 | -49 | 0 | 0 | 114 | L300 K311 R312 E317 | L300-Q315 HydrophobicContact CD2-CG 3.36Å; L300-Q315 HydrophobicContact CG-CG 4.48Å; K311-Q315 VanDerWaalsContact O-CG 3.31Å; K311-Q315 WeakPolarHBondContact O-CG 3.22Å; K311-Q315 PolarHBondContact O-N 2.88Å; R312-Q315 PolarHBondContact O-N 3.38Å; Q315-E317 PolarHBondContact O-N 3.44Å |
| 316 | G | 63.7 | Low | 60.8 | Low | 27 Ų | 27 | 90.1 Ų | 90.1 | 28% | 0.278 | 47% | 0.466 | S | S | . | . | trans | -68.2 | 102.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R312 Q318 I319 | R312-G316 PolarHBondContact O-N 3.49Å; G316-Q318 PolarHBondContact O-N 3.35Å; G316-I319 PolarHBondContact O-N 3.22Å | ||
| 317 | E | 48.8 | Very low | 58.3 | Low | 165 Ų | 165 | 89.4 Ų | 89.4 | 77% | 0.771 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -51 | -30.8 | 178.7 | -64.6 | -173.3 | 133.2 | 0 | 0 | 112.6 | Q315 I319 L320 G321 | Q315-E317 PolarHBondContact O-N 3.44Å; E317-I319 PolarHBondContact O-N 3.35Å; E317-L320 CarbonylContact O-C 3.56Å; E317-L320 PolarHBondContact O-N 3.06Å; E317-G321 PolarHBondContact O-N 3.13Å |
| 318 | Q | 46 | Very low | 56.1 | Low | 180 Ų | 180 | 100 Ų | 100 | 84% | 0.841 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -20.2 | 175.9 | -66.8 | -174.6 | -4.4 | 0 | 0 | 115.1 | G316 | G316-Q318 PolarHBondContact O-N 3.35Å |
| 319 | I | 51.8 | Low | 53.8 | Low | 57 Ų | 57 | 107.8 Ų | 107.8 | 29% | 0.292 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -88.7 | -26.1 | 174.8 | -61.9 | 155.1 | 0 | 0 | 0 | 110.6 | F277 M285 V313 G316 E317 | F277-I319 HydrophobicContact CE2-CD1 4Å; F277-I319 HydrophobicContact CE2-CG1 4.14Å; F277-I319 HydrophobicContact CE2-CG2 4.36Å; F277-I319 HydrophobicContact CZ-CD1 3.59Å; F277-I319 HydrophobicContact CZ-CG1 4.25Å; M285-I319 HydrophobicContact CE-CG2 3.87Å; V313-I319 HydrophobicContact CG1-CD1 4.15Å; V313-I319 VanDerWaalsContact O-CD1 3.23Å; V313-I319 WeakPolarHBondContact O-CD1 3.47Å; G316-I319 PolarHBondContact O-N 3.22Å; E317-I319 PolarHBondContact O-N 3.35Å |
| 320 | L | 51.3 | Low | 51.1 | Low | 41 Ų | 41 | 114 Ų | 114 | 22% | 0.215 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -88.9 | -24 | 178.9 | -79.4 | 160.8 | 0 | 0 | 0 | 113.7 | F289 E317 H322 Y323 S324 | F289-L320 HydrophobicContact CB-CD2 4.35Å; F289-L320 HydrophobicContact CD1-CD2 3.57Å; F289-L320 HydrophobicContact CD2-CD2 3.68Å; F289-L320 HydrophobicContact CE1-CD1 3.88Å; F289-L320 HydrophobicContact CE1-CD2 3.6Å; F289-L320 HydrophobicContact CE1-CG 4.38Å; F289-L320 HydrophobicContact CE2-CD2 3.77Å; F289-L320 HydrophobicContact CG-CD2 3.6Å; F289-L320 HydrophobicContact CZ-CD1 3.87Å; F289-L320 HydrophobicContact CZ-CD2 3.72Å; F289-L320 HydrophobicContact CZ-CG 4.29Å; E317-L320 CarbonylContact O-C 3.56Å; E317-L320 PolarHBondContact O-N 3.06Å; L320-H322 PolarHBondContact O-N 3.26Å; L320-Y323 PolarHBondContact O-N 3.08Å; L320-S324 PolarHBondContact O-N 3.32Å; L320-S324 PolarHBondContact O-OG 3.31Å |
| 321 | G | 43.9 | Very low | 48.7 | Very low | 52 Ų | 52 | 119.4 Ų | 119.4 | 54% | 0.536 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.4 | -13.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | E317 | E317-G321 PolarHBondContact O-N 3.13Š|
| 322 | H | 42.4 | Very low | 46.4 | Very low | 167 Ų | 167 | 121.8 Ų | 121.8 | 77% | 0.773 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -3.5 | 171.9 | -80.8 | -69.8 | 0 | 0 | 0 | 114.7 | L320 | L320-H322 PolarHBondContact O-N 3.26Š|
| 323 | Y | 44 | Very low | 44.9 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 56% | 0.557 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.8 | -10 | 179.7 | -70.1 | -78.8 | 0 | 0 | 0 | 114.2 | K286 L320 H325 | K286-Y323 VanDerWaalsContact CE-CZ 3.47Å; K286-Y323 WeakPolarHBondContact CE-OH 3.44Å; K286-Y323 PolarHBondContact NZ-OH 2.97Å; L320-Y323 PolarHBondContact O-N 3.08Å; Y323-H325 VanDerWaalsContact C-N 3.34Å; Y323-H325 PolarHBondContact O-N 2.81Å; Y323-H325 VanDerWaalsContact O-N 3.13Å |
| 324 | S | 36 | Very low | 43.5 | Very low | 56 Ų | 56 | 124.8 Ų | 124.8 | 39% | 0.392 | 63% | 0.626 | S | S | . | * | trans | -86.4 | 64.3 | 177.7 | 60.2 | 0 | 0 | 0 | 0 | 112.8 | L320 T326 | L320-S324 PolarHBondContact O-N 3.32Å; L320-S324 PolarHBondContact O-OG 3.31Å; S324-T326 PolarHBondContact O-N 2.83Å | ||
| 325 | H | 34.9 | Very low | 41.8 | Very low | 170 Ų | 170 | 131.2 Ų | 131.2 | 79% | 0.787 | 66% | 0.658 | S | S | * | * | trans | -79 | 49.4 | 163.2 | -149.9 | -70.6 | 0 | 0 | 0 | 110.4 | Y323 S327 | Y323-H325 VanDerWaalsContact C-N 3.34Å; Y323-H325 PolarHBondContact O-N 2.81Å; Y323-H325 VanDerWaalsContact O-N 3.13Å; H325-S327 PolarHBondContact O-N 3.12Å | ||
| 326 | T | 33.3 | Very low | 40.2 | Very low | 62 Ų | 62 | 132.3 Ų | 132.3 | 38% | 0.38 | 67% | 0.666 | S | S | . | * | trans | -84.6 | 106.3 | -171.9 | 47.6 | 0 | 0 | 0 | 0 | 110.7 | H293 S324 R328 | H293-T326 HydrophobicContact CB-CG2 3.76Å; S324-T326 PolarHBondContact O-N 2.83Å; T326-R328 PolarHBondContact O-N 3.05Å | ||
| 327 | S | 31.7 | Very low | 38.8 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | trans | -50 | 109.9 | 169.6 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | H325 R329 | H325-S327 PolarHBondContact O-N 3.12Å; S327-R329 VanDerWaalsContact C-N 3.26Å; S327-R329 PolarHBondContact O-N 2.97Å | ||
| 328 | R | 36.6 | Very low | 38.2 | Very low | 231 Ų | 231 | 136.9 Ų | 136.9 | 87% | 0.872 | 68% | 0.683 | S | S | * | * | trans | -73.4 | 84.1 | 172.9 | -71.8 | -170.3 | -178.1 | -158 | 1.4 | 108.7 | T326 L330 | T326-R328 PolarHBondContact O-N 3.05Å; R328-L330 VanDerWaalsContact C-N 3.32Å; R328-L330 PolarHBondContact O-N 3.35Å | ||
| 329 | R | 31.7 | Very low | 37.6 | Very low | 234 Ų | 234 | 134 Ų | 134 | 88% | 0.883 | 67% | 0.673 | S | S | * | * | trans | -67.4 | 91.3 | 171.7 | -161.3 | 179.5 | -162.7 | -175.8 | 6.1 | 108.6 | S327 K331 | S327-R329 VanDerWaalsContact C-N 3.26Å; S327-R329 PolarHBondContact O-N 2.97Å; R329-K331 PolarHBondContact O-N 3.11Å | ||
| 330 | L | 27.7 | Very low | 36.6 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 81% | 0.806 | 70% | 0.7 | S | S | * | * | trans | -57.8 | 119.6 | 175.6 | -73.9 | 170.6 | 0 | 0 | 0 | 109.3 | R328 | R328-L330 VanDerWaalsContact C-N 3.32Å; R328-L330 PolarHBondContact O-N 3.35Å | ||
| 331 | K | 28.6 | Very low | 35.5 | Very low | 205 Ų | 205 | 147.1 Ų | 147.1 | 89% | 0.891 | 74% | 0.737 | S | S | * | * | trans | -107.5 | 104.6 | 167.7 | -155.2 | 175.5 | -176.3 | -174.3 | 0 | 106.1 | R329 | R329-K331 PolarHBondContact O-N 3.11Š| ||
| 332 | I | 26.9 | Very low | 34.8 | Very low | 141 Ų | 141 | 155 Ų | 155 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | trans | -82.6 | 143.3 | 171.3 | -66.4 | 176.2 | 0 | 0 | 0 | 106 | ||||
| 333 | P | 43.8 | Very low | 34.1 | Very low | 197 Ų | 197 | 153.9 Ų | 153.9 | 100% | 1.279 | 75% | 0.752 | S | S | * | * | trans | -49.3 | 0 | -162.9 | 14.6 | -32.8 | 0 | 0 | 0 | 116.4 |
Retrieved 333 of 333 residues in 356.5 ms
(Link to these results)