| 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 | 34.8 | Very low | 33.2 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 99% | 0.985 | 78% | 0.779 | S | S | * | * | 0 | 144.7 | 0 | -72 | -174.8 | 175.1 | 0 | 0 | 109.2 | |||||
| 2 | S | 29.4 | Very low | 33.4 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | cis | -169.2 | 142.3 | -18.7 | -90.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | V | 33.2 | Very low | 33.1 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 47 | 105 | 147.6 | -174 | 0 | 0 | 0 | 0 | 117 | ||||
| 4 | S | 34.3 | Very low | 33.5 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | 80.7 | 153.5 | 61.3 | -157.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 5 | L | 31.6 | Very low | 33.4 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 71% | 0.707 | 80% | 0.802 | S | S | * | * | trans | 74.8 | 94.3 | 167.8 | -62.6 | 170.2 | 0 | 0 | 0 | 120.9 | ||||
| 6 | Q | 33.2 | Very low | 33.3 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | 55.7 | 138.9 | 108.1 | -88.1 | -178.5 | -18.7 | 0 | 0 | 123.5 | |||||
| 7 | N | 34.1 | Very low | 33.7 | Very low | 129 Ų | 129 | 150.8 Ų | 150.8 | 69% | 0.69 | 81% | 0.81 | S | S | * | * | trans | 73.5 | 105.5 | 144.3 | -60.2 | -16.8 | 0 | 0 | 0 | 120.1 | ||||
| 8 | Y | 27.3 | Very low | 33.8 | Very low | 240 Ų | 240 | 146.6 Ų | 146.6 | 94% | 0.941 | 81% | 0.808 | S | S | * | * | trans | -141.2 | 148.5 | 131.6 | -106.2 | -82.4 | 0 | 0 | 0 | 110.8 | ||||
| 9 | S | 37.3 | Very low | 34.3 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -144.5 | 148.8 | 172.6 | -153.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 10 | P | 43.2 | Very low | 34.6 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | -122.2 | -154.8 | 59 | 34.4 | -15.1 | 0 | 0 | 0 | 110.7 | |||||
| 11 | M | 27.1 | Very low | 34.9 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | cis | -155.4 | 169.9 | 11.6 | -158.2 | 164.5 | 69 | 0 | 0 | 112.3 | ||||
| 12 | M | 35.5 | Very low | 35.3 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -87 | 143.9 | -177.1 | -66.4 | -108.7 | -72.4 | 0 | 0 | 114.3 | ||||
| 13 | A | 29.8 | Very low | 36 | Very low | 107 Ų | 107 | 145.2 Ų | 145.2 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | -145 | 137.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 14 | Q | 38.1 | Very low | 36.5 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -107.7 | 136.5 | -166.6 | -167.8 | -179.7 | 21.9 | 0 | 0 | 111.1 | ||||
| 15 | K | 31.6 | Very low | 36.8 | Very low | 198 Ų | 198 | 141.3 Ų | 141.3 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -147.8 | 121 | 167.5 | -105.5 | 179.5 | -179.2 | -179.1 | 0 | 113 | ||||
| 16 | S | 31.8 | Very low | 37.5 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 21.1 | 112 | 154.4 | 54.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 17 | Q | 40.4 | Very low | 38.1 | Very low | 205 Ų | 205 | 137.7 Ų | 137.7 | 96% | 0.958 | 75% | 0.751 | S | S | * | * | trans | -76.5 | 150.6 | 148.2 | -70.3 | 177 | -63.7 | 0 | 0 | 110.4 | ||||
| 18 | G | 36.2 | Very low | 38.8 | Very low | 75 Ų | 75 | 137 Ų | 137 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | 142.2 | 80.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 19 | S | 42.5 | Very low | 39.7 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -169.3 | 41.6 | 147.6 | -167.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 20 | D | 40.3 | Very low | 40.4 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | trans | -118.3 | -4 | -173.8 | -59.6 | -74.4 | 0 | 0 | 0 | 115.9 | ||||
| 21 | N | 41.8 | Very low | 40.8 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 14.7 | -166.5 | -87.9 | -117 | 0 | 0 | 0 | 115.6 | ||
| 22 | L | 42.7 | Very low | 41.7 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 83% | 0.827 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -32.9 | -177.3 | -115.3 | 157.8 | 0 | 0 | 0 | 113.8 | ||
| 23 | Q | 43.6 | Very low | 42.3 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -72.1 | -49.4 | -179.8 | -154.1 | 83.4 | -2.5 | 0 | 0 | 111.9 | G25 Q26 E27 | Q23-G25 VanDerWaalsContact C-N 3.3Å; Q23-G25 PolarHBondContact O-N 3.32Å; Q23-Q26 PolarHBondContact O-N 3.13Å; Q23-E27 PolarHBondContact O-N 2.91Å |
| 24 | E | 44.2 | Very low | 43 | Very low | 106 Ų | 106 | 127 Ų | 127 | 50% | 0.495 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -64.6 | -31.7 | -170.5 | -158.3 | -167.3 | 171.3 | 0 | 0 | 113.2 | Q26 K28 | E24-Q26 VanDerWaalsContact C-N 3.34Å; E24-K28 HydrophobicContact CG-CD 4.47Å; E24-K28 WeakPolarHBondContact O-CG 3.46Å; E24-K28 PolarHBondContact O-N 3.31Å; E24-K28 VanDerWaalsContact OE1-CE 3.28Å; E24-K28 WeakPolarHBondContact OE1-CE 3.38Å; E24-K28 IonicContact OE1-NZ 2.68Å; E24-K28 PolarHBondContact OE1-NZ 3.3Å; E24-K28 IonicContact OE2-NZ 2.73Å |
| 25 | G | 41.1 | Very low | 43.2 | Very low | 46 Ų | 46 | 125.5 Ų | 125.5 | 47% | 0.474 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -68.4 | -31.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q23 S29 | Q23-G25 VanDerWaalsContact C-N 3.3Å; Q23-G25 PolarHBondContact O-N 3.32Å; G25-S29 WeakPolarHBondContact O-CB 3.46Å; G25-S29 PolarHBondContact O-N 3.11Å; G25-S29 VanDerWaalsContact O-N 3.13Å |
| 26 | Q | 45.5 | Very low | 43.4 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 58% | 0.575 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.7 | -36.5 | -178.1 | -156.1 | -178.7 | 34.5 | 0 | 0 | 111.8 | Q23 E24 K30 | Q23-Q26 PolarHBondContact O-N 3.13Å; E24-Q26 VanDerWaalsContact C-N 3.34Å; Q26-K30 WeakPolarHBondContact O-CG 3.4Å; Q26-K30 PolarHBondContact O-N 3.45Å |
| 27 | E | 46.8 | Very low | 43.8 | Very low | 94 Ų | 94 | 119.6 Ų | 119.6 | 44% | 0.439 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.8 | -43 | 172.1 | -73.2 | -167.6 | -175.7 | 0 | 0 | 113 | Q23 S29 K30 R31 | Q23-E27 PolarHBondContact O-N 2.91Å; E27-S29 VanDerWaalsContact C-N 3.27Å; E27-S29 PolarHBondContact O-N 2.84Å; E27-K30 PolarHBondContact O-N 2.89Å; E27-K30 VanDerWaalsContact O-N 3.11Å; E27-R31 WeakPolarHBondContact O-CG 3.5Å; E27-R31 PolarHBondContact O-N 2.73Å; E27-R31 IonicContact OE2-CZ 3.67Å; E27-R31 IonicContact OE2-NE 3.59Å; E27-R31 IonicContact OE2-NH2 3.16Å; E27-R31 PolarHBondContact OE2-NH2 3.24Å |
| 28 | K | 48 | Very low | 43.6 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 50% | 0.5 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -59.6 | -41.6 | 177.7 | -73.8 | 172.2 | -178.1 | 172.4 | 0 | 110.9 | E24 K30 R31 E32 | E24-K28 HydrophobicContact CG-CD 4.47Å; E24-K28 WeakPolarHBondContact O-CG 3.46Å; E24-K28 PolarHBondContact O-N 3.31Å; E24-K28 VanDerWaalsContact OE1-CE 3.28Å; E24-K28 WeakPolarHBondContact OE1-CE 3.38Å; E24-K28 IonicContact OE1-NZ 2.68Å; E24-K28 PolarHBondContact OE1-NZ 3.3Å; E24-K28 IonicContact OE2-NZ 2.73Å; K28-K30 PolarHBondContact O-N 3.48Å; K28-R31 PolarHBondContact O-N 3.1Å; K28-E32 VanDerWaalsContact O-CG 3.31Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.49Å |
| 29 | S | 46 | Very low | 43.7 | Very low | 62 Ų | 62 | 119.5 Ų | 119.5 | 43% | 0.434 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -56.8 | -47.9 | 171.5 | -176.1 | 0 | 0 | 0 | 0 | 112.8 | G25 E27 R31 E32 I33 | G25-S29 WeakPolarHBondContact O-CB 3.46Å; G25-S29 PolarHBondContact O-N 3.11Å; G25-S29 VanDerWaalsContact O-N 3.13Å; E27-S29 VanDerWaalsContact C-N 3.27Å; E27-S29 PolarHBondContact O-N 2.84Å; S29-R31 PolarHBondContact O-N 3.18Å; S29-E32 PolarHBondContact O-N 3.36Å; S29-I33 WeakPolarHBondContact O-CD1 3.5Å; S29-I33 VanDerWaalsContact O-CG1 3.28Å; S29-I33 WeakPolarHBondContact O-CG1 3.27Å; S29-I33 PolarHBondContact O-N 3.27Å; S29-I33 VanDerWaalsContact O-N 3.09Å |
| 30 | K | 52.3 | Low | 43.4 | Very low | 128 Ų | 128 | 117.5 Ų | 117.5 | 56% | 0.557 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.5 | -43.6 | 176.7 | -70.4 | 173.5 | 179.3 | -177.7 | 0 | 112.7 | Q26 E27 K28 I33 L34 | Q26-K30 WeakPolarHBondContact O-CG 3.4Å; Q26-K30 PolarHBondContact O-N 3.45Å; E27-K30 PolarHBondContact O-N 2.89Å; E27-K30 VanDerWaalsContact O-N 3.11Å; K28-K30 PolarHBondContact O-N 3.48Å; K30-I33 PolarHBondContact O-N 3.19Å; K30-L34 PolarHBondContact O-N 2.97Å |
| 31 | R | 51.9 | Low | 42.9 | Very low | 154 Ų | 154 | 122.6 Ų | 122.6 | 58% | 0.581 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.1 | -31.1 | -179.7 | -63.2 | 178.6 | -151.6 | -105.9 | 7.3 | 112.9 | E27 K28 S29 K35 | E27-R31 WeakPolarHBondContact O-CG 3.5Å; E27-R31 PolarHBondContact O-N 2.73Å; E27-R31 IonicContact OE2-CZ 3.67Å; E27-R31 IonicContact OE2-NE 3.59Å; E27-R31 IonicContact OE2-NH2 3.16Å; E27-R31 PolarHBondContact OE2-NH2 3.24Å; K28-R31 PolarHBondContact O-N 3.1Å; S29-R31 PolarHBondContact O-N 3.18Å; R31-K35 WeakPolarHBondContact O-CG 3.36Å; R31-K35 PolarHBondContact O-N 3.29Å |
| 32 | E | 46 | Very low | 42.5 | Very low | 127 Ų | 127 | 120 Ų | 120 | 59% | 0.593 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.3 | -44.2 | 171.9 | -72.7 | -76.4 | 114.2 | 0 | 0 | 111.7 | K28 S29 L34 K35 C36 | K28-E32 VanDerWaalsContact O-CG 3.31Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.49Å; S29-E32 PolarHBondContact O-N 3.36Å; E32-L34 PolarHBondContact O-N 3.26Å; E32-K35 PolarHBondContact O-N 3.04Å; E32-C36 PolarHBondContact O-N 3.49Å; E32-C36 VanDerWaalsContact O-N 3.13Å; E32-C36 PolarHBondContact O-SG 3.14Å |
| 33 | I | 48 | Very low | 42.2 | Very low | 108 Ų | 108 | 118.2 Ų | 118.2 | 55% | 0.554 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59.8 | -46 | 179.7 | -69.9 | 163.8 | 0 | 0 | 0 | 111.1 | S29 K30 K35 C36 | S29-I33 WeakPolarHBondContact O-CD1 3.5Å; S29-I33 VanDerWaalsContact O-CG1 3.28Å; S29-I33 WeakPolarHBondContact O-CG1 3.27Å; S29-I33 PolarHBondContact O-N 3.27Å; S29-I33 VanDerWaalsContact O-N 3.09Å; K30-I33 PolarHBondContact O-N 3.19Å; I33-K35 VanDerWaalsContact C-N 3.31Å; I33-K35 PolarHBondContact O-N 3.04Å; I33-C36 PolarHBondContact O-N 3.36Å |
| 34 | L | 44.4 | Very low | 41.5 | Very low | 124 Ų | 124 | 119.5 Ų | 119.5 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67 | -27.7 | 178.5 | -69.1 | 169.1 | 0 | 0 | 0 | 113.5 | K30 E32 T37 | K30-L34 PolarHBondContact O-N 2.97Å; E32-L34 PolarHBondContact O-N 3.26Å; L34-T37 PolarHBondContact O-OG1 3.24Å |
| 35 | K | 41.1 | Very low | 40.7 | Very low | 153 Ų | 153 | 121.1 Ų | 121.1 | 67% | 0.665 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.2 | -33.3 | 175.3 | -77.5 | 179.4 | 177.5 | -174.6 | 0 | 112.9 | R31 E32 I33 T37 K38 | R31-K35 WeakPolarHBondContact O-CG 3.36Å; R31-K35 PolarHBondContact O-N 3.29Å; E32-K35 PolarHBondContact O-N 3.04Å; I33-K35 VanDerWaalsContact C-N 3.31Å; I33-K35 PolarHBondContact O-N 3.04Å; K35-T37 VanDerWaalsContact C-N 3.28Å; K35-T37 PolarHBondContact O-N 3.28Å; K35-K38 PolarHBondContact O-N 3.28Å |
| 36 | C | 37.6 | Very low | 40.2 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 60% | 0.595 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -64 | -33.3 | 177.6 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | E32 I33 K38 S39 | E32-C36 PolarHBondContact O-N 3.49Å; E32-C36 VanDerWaalsContact O-N 3.13Å; E32-C36 PolarHBondContact O-SG 3.14Å; I33-C36 PolarHBondContact O-N 3.36Å; C36-K38 PolarHBondContact O-N 2.93Å; C36-S39 PolarHBondContact O-OG 2.9Å; C36-S39 VanDerWaalsContact O-OG 3.06Å |
| 37 | T | 39.3 | Very low | 39.3 | Very low | 100 Ų | 100 | 132 Ų | 132 | 61% | 0.613 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -72.2 | -19.8 | 179.1 | 34.5 | 0 | 0 | 0 | 0 | 115.1 | L34 K35 S39 | L34-T37 PolarHBondContact O-OG1 3.24Å; K35-T37 VanDerWaalsContact C-N 3.28Å; K35-T37 PolarHBondContact O-N 3.28Å; T37-S39 VanDerWaalsContact C-N 3.27Å; T37-S39 PolarHBondContact O-N 3.43Å |
| 38 | K | 37.1 | Very low | 38.5 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 76% | 0.761 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -84.1 | 9.5 | -177.2 | -161.7 | 161.5 | -178.1 | 166.1 | 0 | 114 | K35 C36 E912 | K35-K38 PolarHBondContact O-N 3.28Å; C36-K38 PolarHBondContact O-N 2.93Å; K38-E912 IonicContact NZ-OE1 3.17Å |
| 39 | S | 36.7 | Very low | 37.6 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -122.3 | 5 | -174.1 | 65.3 | 0 | 0 | 0 | 0 | 115.4 | C36 T37 | C36-S39 PolarHBondContact O-OG 2.9Å; C36-S39 VanDerWaalsContact O-OG 3.06Å; T37-S39 VanDerWaalsContact C-N 3.27Å; T37-S39 PolarHBondContact O-N 3.43Å |
| 40 | A | 36.5 | Very low | 37 | Very low | 72 Ų | 72 | 138.1 Ų | 138.1 | 60% | 0.595 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -96.2 | -3.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 41 | W | 29.9 | Very low | 35.8 | Very low | 245 Ų | 245 | 139.8 Ų | 139.8 | 93% | 0.928 | 73% | 0.732 | S | S | * | * | trans | -135.8 | 105.7 | -175.5 | -63.6 | 97.9 | 0 | 0 | 0 | 111.4 | ||||
| 42 | A | 33.4 | Very low | 35.2 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | -140.9 | 121 | 160.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 43 | P | 36.6 | Very low | 34.3 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -78.6 | 145.5 | -178.8 | 32.2 | -33.8 | 0 | 0 | 0 | 111 | ||||
| 44 | L | 29.7 | Very low | 33.5 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -151.4 | 147.1 | 151 | -149.2 | 72.1 | 0 | 0 | 0 | 108.9 | ||||
| 45 | D | 26.2 | Very low | 32.6 | Very low | 140 Ų | 140 | 147 Ų | 147 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -89.8 | -171.7 | -154.4 | -57.9 | -85.4 | 0 | 0 | 0 | 115.3 | ||||
| 46 | E | 31 | Very low | 32.2 | Very low | 168 Ų | 168 | 145 Ų | 145 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 79.9 | 104.7 | 145.6 | -136.6 | -173.7 | -106.1 | 0 | 0 | 116.6 | ||||
| 47 | W | 26.9 | Very low | 31.7 | Very low | 229 Ų | 229 | 148.4 Ų | 148.4 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | -175.9 | 139.7 | 107.6 | -101.1 | 44.7 | 0 | 0 | 0 | 110.5 | |||||
| 48 | L | 29.8 | Very low | 31.1 | Very low | 163 Ų | 163 | 149 Ų | 149 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -80 | 143.7 | -179.7 | -76.6 | 161.9 | 0 | 0 | 0 | 112.3 | ||
| 49 | P | 30.1 | Very low | 30.6 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 145 | 167.3 | 34.2 | -32.7 | 0 | 0 | 0 | 111.6 | ||
| 50 | P | 32.6 | Very low | 30 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 148.8 | 167 | 32.9 | -33.6 | 0 | 0 | 0 | 112 | ||
| 51 | D | 26.7 | Very low | 29.8 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -82 | 171.5 | 178.1 | -129.5 | 15.4 | 0 | 0 | 0 | 112 | ||
| 52 | P | 39.3 | Very low | 29.9 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 152.8 | -154.5 | 35.4 | -38.3 | 0 | 0 | 0 | 115.9 | ||
| 53 | E | 26.4 | Very low | 29.8 | Very low | 196 Ų | 196 | 149.1 Ų | 149.1 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82 | 149.6 | 159.3 | -69.6 | -167.1 | 144.4 | 0 | 0 | 111.6 | ||
| 54 | E | 32 | Very low | 29.7 | Very low | 190 Ų | 190 | 151.3 Ų | 151.3 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71 | 139.7 | 178.5 | -53.7 | 177.6 | 107.2 | 0 | 0 | 111.9 | ||
| 55 | E | 26.7 | Very low | 30.2 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -148.2 | 103.1 | 132.8 | -134.5 | 179.7 | -159 | 0 | 0 | 112.6 | Q57 | E55-Q57 PolarHBondContact O-N 2.99Š| ||
| 56 | S | 31.2 | Very low | 30.8 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -83 | 111 | 173.6 | 54.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 57 | Q | 27 | Very low | 31.2 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -140.9 | 100.1 | 168.5 | -111.2 | 168.8 | 96.4 | 0 | 0 | 112.3 | E55 L59 | E55-Q57 PolarHBondContact O-N 2.99Å; Q57-L59 PolarHBondContact O-N 2.96Å | ||
| 58 | S | 28.2 | Very low | 32.1 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -72.3 | 119.8 | 175.7 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 59 | L | 24.8 | Very low | 32.7 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | trans | -125.4 | 130.2 | 165.1 | -97.1 | 163.4 | 0 | 0 | 0 | 109.2 | Q57 | Q57-L59 PolarHBondContact O-N 2.96Š| ||
| 60 | T | 25.2 | Very low | 33.1 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | -132.1 | 159.7 | -162.2 | -36.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 61 | I | 33 | Very low | 33.5 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 78.1 | 137.6 | 171.4 | -52.8 | 175.3 | 0 | 0 | 0 | 112.6 | ||||
| 62 | P | 31.3 | Very low | 34.4 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | cis | -111 | 165.1 | 14.7 | 16 | 7.1 | 0 | 0 | 0 | 116.4 | ||||
| 63 | M | 32.2 | Very low | 34.4 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 65% | 0.645 | 70% | 0.704 | S | S | * | * | trans | -79.2 | 153.6 | 178.6 | -48.9 | -143.8 | 77.9 | 0 | 0 | 112.7 | E65 | M63-E65 HydrophobicContact CB-CB 4.5Å; M63-E65 HydrophobicContact CE-CB 3.75Å; M63-E65 HydrophobicContact CE-CG 4.3Å; M63-E65 WeakPolarHBondContact CE-OE2 3.42Å | ||
| 64 | L | 33.9 | Very low | 34.9 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 87% | 0.874 | 69% | 0.69 | S | S | * | * | trans | -142.4 | 65 | 148 | -174.1 | 66.2 | 0 | 0 | 0 | 107.5 | ||||
| 65 | E | 38.7 | Very low | 35.3 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | trans | -117.2 | 6.1 | -166.1 | -149 | 145.7 | 177.6 | 0 | 0 | 112.4 | M63 S67 K68 | M63-E65 HydrophobicContact CB-CB 4.5Å; M63-E65 HydrophobicContact CE-CB 3.75Å; M63-E65 HydrophobicContact CE-CG 4.3Å; M63-E65 WeakPolarHBondContact CE-OE2 3.42Å; E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 PolarHBondContact O-N 3.38Å; E65-K68 PolarHBondContact O-N 3.2Å | ||
| 66 | D | 38.9 | Very low | 36 | Very low | 87 Ų | 87 | 129 Ų | 129 | 47% | 0.465 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -69.2 | -29.7 | -167.6 | -49.7 | -62.6 | 0 | 0 | 0 | 112.9 | K68 Q69 E70 | D66-K68 PolarHBondContact O-N 3.36Å; D66-Q69 PolarHBondContact O-N 2.85Å; D66-E70 WeakPolarHBondContact O-CB 3.27Å; D66-E70 WeakPolarHBondContact O-CG 3.49Å; D66-E70 PolarHBondContact O-N 3.49Å |
| 67 | S | 41.3 | Very low | 36.3 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -61.6 | -17.7 | -178.5 | 179.7 | 0 | 0 | 0 | 0 | 114.9 | E65 | E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 PolarHBondContact O-N 3.38Å |
| 68 | K | 45.3 | Very low | 36.9 | Very low | 169 Ų | 169 | 125.3 Ų | 125.3 | 74% | 0.735 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -111.3 | -31.2 | 173.5 | -72.5 | -173.1 | 176.8 | -178.6 | 0 | 112.5 | E65 D66 S71 | E65-K68 PolarHBondContact O-N 3.2Å; D66-K68 PolarHBondContact O-N 3.36Å; K68-S71 PolarHBondContact O-N 3.33Å |
| 69 | Q | 42.8 | Very low | 37.7 | Very low | 121 Ų | 121 | 123.1 Ų | 123.1 | 57% | 0.565 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.8 | -39.4 | 178 | -159.9 | 69.1 | -0.9 | 0 | 0 | 112.1 | D66 S71 I72 Q73 | D66-Q69 PolarHBondContact O-N 2.85Å; Q69-S71 VanDerWaalsContact C-N 3.3Å; Q69-S71 PolarHBondContact O-N 3.03Å; Q69-I72 PolarHBondContact O-N 3.37Å; Q69-I72 VanDerWaalsContact O-N 3.16Å; Q69-Q73 PolarHBondContact O-N 3.48Å |
| 70 | E | 37.8 | Very low | 38.1 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 57% | 0.565 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -60.6 | -37.4 | 175.5 | -74.8 | -165.6 | 129.6 | 0 | 0 | 112.3 | D66 I72 Q73 Q74 | D66-E70 WeakPolarHBondContact O-CB 3.27Å; D66-E70 WeakPolarHBondContact O-CG 3.49Å; D66-E70 PolarHBondContact O-N 3.49Å; E70-I72 PolarHBondContact O-N 2.99Å; E70-Q73 PolarHBondContact O-N 2.92Å; E70-Q74 WeakPolarHBondContact O-CB 3.38Å; E70-Q74 VanDerWaalsContact O-CG 3.29Å; E70-Q74 WeakPolarHBondContact O-CG 3.32Å; E70-Q74 PolarHBondContact O-N 2.81Å |
| 71 | S | 40.7 | Very low | 38.4 | Very low | 76 Ų | 76 | 129 Ų | 129 | 53% | 0.531 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -67.2 | -24.1 | 179 | -173.4 | 0 | 0 | 0 | 0 | 113.4 | K68 Q69 | K68-S71 PolarHBondContact O-N 3.33Å; Q69-S71 VanDerWaalsContact C-N 3.3Å; Q69-S71 PolarHBondContact O-N 3.03Å |
| 72 | I | 45.1 | Very low | 38.3 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -87.8 | -41.5 | 176 | -62.7 | 172.3 | 0 | 0 | 0 | 109.5 | Q69 E70 W75 L76 | Q69-I72 PolarHBondContact O-N 3.37Å; Q69-I72 VanDerWaalsContact O-N 3.16Å; E70-I72 PolarHBondContact O-N 2.99Å; I72-W75 VanDerWaalsContact O-CB 3.32Å; I72-W75 WeakPolarHBondContact O-CB 3.47Å; I72-W75 PolarHBondContact O-N 3.45Å; I72-W75 VanDerWaalsContact O-N 3.15Å; I72-L76 HydrophobicContact CG2-CD1 4.46Å; I72-L76 PolarHBondContact O-N 3.33Å |
| 73 | Q | 39.3 | Very low | 38.7 | Very low | 87 Ų | 87 | 127.6 Ų | 127.6 | 41% | 0.407 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -66.1 | -40.6 | 178.8 | -169.5 | 57.7 | 43 | 0 | 0 | 112.2 | Q69 E70 W75 L76 D77 | Q69-Q73 PolarHBondContact O-N 3.48Å; E70-Q73 PolarHBondContact O-N 2.92Å; Q73-W75 PolarHBondContact O-N 3.15Å; Q73-L76 PolarHBondContact O-N 2.75Å; Q73-D77 WeakPolarHBondContact CG-OD2 3.49Å; Q73-D77 VanDerWaalsContact NE2-CG 3.32Å; Q73-D77 PolarHBondContact NE2-OD1 2.9Å; Q73-D77 PolarHBondContact NE2-OD2 3.43Å; Q73-D77 PolarHBondContact O-N 3.49Å |
| 74 | Q | 36.9 | Very low | 38.5 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 62% | 0.621 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -59.4 | -30.4 | 172.6 | -75 | 179.8 | 12.3 | 0 | 0 | 112.9 | E70 S78 | E70-Q74 WeakPolarHBondContact O-CB 3.38Å; E70-Q74 VanDerWaalsContact O-CG 3.29Å; E70-Q74 WeakPolarHBondContact O-CG 3.32Å; E70-Q74 PolarHBondContact O-N 2.81Å; Q74-S78 WeakPolarHBondContact O-CB 3.47Å; Q74-S78 PolarHBondContact O-N 2.88Å; Q74-S78 VanDerWaalsContact O-N 3.15Å; Q74-S78 PolarHBondContact O-OG 3.46Å |
| 75 | W | 40.8 | Very low | 38.7 | Very low | 213 Ų | 213 | 123.8 Ų | 123.8 | 81% | 0.807 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.2 | -25.5 | 176.3 | -123.9 | 88.8 | 0 | 0 | 0 | 113.2 | I72 Q73 S78 | I72-W75 VanDerWaalsContact O-CB 3.32Å; I72-W75 WeakPolarHBondContact O-CB 3.47Å; I72-W75 PolarHBondContact O-N 3.45Å; I72-W75 VanDerWaalsContact O-N 3.15Å; Q73-W75 PolarHBondContact O-N 3.15Å; W75-S78 PolarHBondContact O-OG 3.18Å |
| 76 | L | 41.1 | Very low | 38.7 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 63% | 0.634 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -86.4 | -35.6 | 176.5 | -65.9 | 172.7 | 0 | 0 | 0 | 111.9 | I72 Q73 | I72-L76 HydrophobicContact CG2-CD1 4.46Å; I72-L76 PolarHBondContact O-N 3.33Å; Q73-L76 PolarHBondContact O-N 2.75Å |
| 77 | D | 37.5 | Very low | 38.4 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 63% | 0.631 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -83.8 | -12.9 | 179.2 | -67.9 | -38.9 | 0 | 0 | 0 | 113.6 | Q73 G79 | Q73-D77 WeakPolarHBondContact CG-OD2 3.49Å; Q73-D77 VanDerWaalsContact NE2-CG 3.32Å; Q73-D77 PolarHBondContact NE2-OD1 2.9Å; Q73-D77 PolarHBondContact NE2-OD2 3.43Å; Q73-D77 PolarHBondContact O-N 3.49Å; D77-G79 PolarHBondContact O-N 2.71Å |
| 78 | S | 39.8 | Very low | 37.9 | Very low | 75 Ų | 75 | 129.7 Ų | 129.7 | 52% | 0.524 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -75.1 | 65.9 | 169.9 | 63.4 | 0 | 0 | 0 | 0 | 111.8 | Q74 W75 F80 | Q74-S78 WeakPolarHBondContact O-CB 3.47Å; Q74-S78 PolarHBondContact O-N 2.88Å; Q74-S78 VanDerWaalsContact O-N 3.15Å; Q74-S78 PolarHBondContact O-OG 3.46Å; W75-S78 PolarHBondContact O-OG 3.18Å; S78-F80 PolarHBondContact O-N 3.16Å |
| 79 | G | 45.2 | Very low | 37.5 | Very low | 67 Ų | 67 | 128.5 Ų | 128.5 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | trans | -58.9 | 102.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | D77 | D77-G79 PolarHBondContact O-N 2.71Š| ||
| 80 | F | 34.1 | Very low | 37.2 | Very low | 199 Ų | 199 | 130.2 Ų | 130.2 | 87% | 0.873 | 68% | 0.678 | S | S | * | * | trans | -115.1 | 47.9 | 171.5 | -153 | -94.3 | 0 | 0 | 0 | 112.7 | S78 | S78-F80 PolarHBondContact O-N 3.16Š| ||
| 81 | F | 31.4 | Very low | 37 | Very low | 211 Ų | 211 | 128.5 Ų | 128.5 | 93% | 0.925 | 68% | 0.676 | S | S | * | * | trans | -129.2 | 103.3 | 164.2 | -94.5 | -83.9 | 0 | 0 | 0 | 109.7 | ||||
| 82 | V | 29.2 | Very low | 37 | Very low | 139 Ų | 139 | 129 Ų | 129 | 84% | 0.842 | 67% | 0.672 | S | S | * | * | trans | -123.1 | 133.7 | 168.7 | 176.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 83 | S | 40.1 | Very low | 36.4 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | trans | -60.5 | 138.8 | -176.1 | -177.5 | 0 | 0 | 0 | 0 | 112.8 | N85 | S83-N85 PolarHBondContact OG-N 3.16Š| ||
| 84 | A | 28.7 | Very low | 36.1 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 65% | 0.645 | 70% | 0.695 | S | S | * | * | trans | -128.9 | 23.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E86 | A84-E86 PolarHBondContact O-N 3.37Š| ||
| 85 | N | 37.8 | Very low | 35.9 | Very low | 140 Ų | 140 | 133 Ų | 133 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | trans | -78.8 | 70.6 | 167.7 | 179.2 | 50.2 | 0 | 0 | 0 | 110.5 | S83 | S83-N85 PolarHBondContact OG-N 3.16Š| ||
| 86 | E | 38.7 | Very low | 35.7 | Very low | 178 Ų | 178 | 128.1 Ų | 128.1 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -175.6 | 64.9 | 164.6 | -112.3 | 172.5 | -134.7 | 0 | 0 | 111.6 | A84 | A84-E86 PolarHBondContact O-N 3.37Š|
| 87 | N | 33.2 | Very low | 35.4 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 64% | 0.642 | 68% | 0.682 | S | S | * | * | trans | -167.8 | -16.3 | 159.8 | -119.5 | -81.5 | 0 | 0 | 0 | 118.2 | Q89 Q90 | N87-Q89 PolarHBondContact O-N 2.9Å; N87-Q90 PolarHBondContact O-N 3.35Å | ||
| 88 | F | 30.8 | Very low | 35.1 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -61 | -15.8 | -165.4 | -77.7 | -79.3 | 0 | 0 | 0 | 116.7 | Q90 | F88-Q90 PolarHBondContact O-N 3.38Š|
| 89 | Q | 36 | Very low | 34.9 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -73.6 | -16.5 | -179.2 | -156.9 | 60 | 66 | 0 | 0 | 114.9 | N87 | N87-Q89 PolarHBondContact O-N 2.9Š|
| 90 | Q | 37.9 | Very low | 34.5 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -100.6 | -11.2 | -179.6 | -73.7 | -166.6 | 1.9 | 0 | 0 | 115.3 | N87 F88 | N87-Q90 PolarHBondContact O-N 3.35Å; F88-Q90 PolarHBondContact O-N 3.38Å |
| 91 | V | 33.5 | Very low | 34.7 | Very low | 85 Ų | 85 | 138.6 Ų | 138.6 | 52% | 0.515 | 71% | 0.707 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.2 | -41.8 | 179.1 | -178.9 | 0 | 0 | 0 | 0 | 111 | D93 R94 T95 | V91-D93 PolarHBondContact O-N 2.83Å; V91-R94 PolarHBondContact O-N 2.69Å; V91-T95 PolarHBondContact O-N 2.88Å; V91-T95 VanDerWaalsContact O-N 3.14Å; V91-T95 PolarHBondContact O-OG1 2.93Å |
| 92 | I | 40.5 | Very low | 35.5 | Very low | 88 Ų | 88 | 132.1 Ų | 132.1 | 45% | 0.451 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -55 | -51 | -176.5 | -64.2 | 170.8 | 0 | 0 | 0 | 111.2 | R94 T95 V96 | I92-R94 PolarHBondContact O-N 2.94Å; I92-T95 PolarHBondContact O-N 2.92Å; I92-T95 VanDerWaalsContact O-N 3.09Å; I92-V96 HydrophobicContact CG2-CG2 4.13Å; I92-V96 VanDerWaalsContact O-CG2 3.32Å; I92-V96 WeakPolarHBondContact O-CG2 3.4Å; I92-V96 PolarHBondContact O-N 2.9Å |
| 93 | D | 32.7 | Very low | 35.7 | Very low | 117 Ų | 117 | 133 Ų | 133 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -62.2 | -14.5 | -179.1 | -66.5 | 1.1 | 0 | 0 | 0 | 114.2 | V91 | V91-D93 PolarHBondContact O-N 2.83Å |
| 94 | R | 32.5 | Very low | 35.9 | Very low | 206 Ų | 206 | 134 Ų | 134 | 78% | 0.777 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -103.5 | -17.7 | 176.3 | -108.6 | -177.2 | 176.7 | 178.7 | 0 | 114.7 | V91 I92 | V91-R94 PolarHBondContact O-N 2.69Å; I92-R94 PolarHBondContact O-N 2.94Å |
| 95 | T | 33.1 | Very low | 36.5 | Very low | 79 Ų | 79 | 139.2 Ų | 139.2 | 49% | 0.485 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -88.7 | -32.1 | 173.8 | -44.7 | 0 | 0 | 0 | 0 | 111.4 | V91 I92 S97 L98 | V91-T95 PolarHBondContact O-N 2.88Å; V91-T95 VanDerWaalsContact O-N 3.14Å; V91-T95 PolarHBondContact O-OG1 2.93Å; I92-T95 PolarHBondContact O-N 2.92Å; I92-T95 VanDerWaalsContact O-N 3.09Å; T95-S97 VanDerWaalsContact C-N 3.26Å; T95-S97 PolarHBondContact O-N 3.47Å; T95-L98 PolarHBondContact O-N 3.38Å |
| 96 | V | 35.1 | Very low | 37.3 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 66% | 0.661 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -62.2 | -29.5 | 179.5 | 169.3 | 0 | 0 | 0 | 0 | 112.8 | I92 L98 | I92-V96 HydrophobicContact CG2-CG2 4.13Å; I92-V96 VanDerWaalsContact O-CG2 3.32Å; I92-V96 WeakPolarHBondContact O-CG2 3.4Å; I92-V96 PolarHBondContact O-N 2.9Å; V96-L98 VanDerWaalsContact C-N 3.28Å; V96-L98 PolarHBondContact O-N 3.33Å |
| 97 | S | 34.5 | Very low | 38.6 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -83.7 | 12.4 | -179.2 | 77.1 | 0 | 0 | 0 | 0 | 115.3 | T95 | T95-S97 VanDerWaalsContact C-N 3.26Å; T95-S97 PolarHBondContact O-N 3.47Å |
| 98 | L | 32.2 | Very low | 39.2 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -130.6 | 4.5 | -178.4 | -97.9 | 168.5 | 0 | 0 | 0 | 114.4 | T95 V96 | T95-L98 PolarHBondContact O-N 3.38Å; V96-L98 VanDerWaalsContact C-N 3.28Å; V96-L98 PolarHBondContact O-N 3.33Å |
| 99 | Y | 36.5 | Very low | 40.3 | Very low | 193 Ų | 193 | 131.4 Ų | 131.4 | 76% | 0.757 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -104.6 | 15.5 | -178.2 | -119.3 | -85.7 | 0 | 0 | 0 | 114.7 | ||
| 100 | E | 35.9 | Very low | 40.9 | Very low | 194 Ų | 194 | 126.8 Ų | 126.8 | 91% | 0.907 | 66% | 0.659 | S | S | * | * | trans | -99.6 | 12.1 | 179 | -153.6 | 169.4 | -151.7 | 0 | 0 | 113 | ||||
| 101 | Q | 38 | Very low | 41.7 | Very low | 178 Ų | 178 | 126 Ų | 126 | 83% | 0.832 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -114 | 64.1 | -175.5 | -163.7 | 80.3 | 52.8 | 0 | 0 | 112.4 | ||
| 102 | G | 48.2 | Very low | 42.4 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 77% | 0.773 | 65% | 0.647 | S | S | * | * | trans | 48 | 80.3 | 157 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 103 | M | 34.2 | Very low | 43.3 | Very low | 157 Ų | 157 | 129 Ų | 129 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | trans | -106.9 | 118.3 | 163.3 | -68 | -102.6 | 65.3 | 0 | 0 | 109.5 | ||||
| 104 | V | 43.6 | Very low | 43.9 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 77% | 0.77 | 64% | 0.638 | S | S | * | * | trans | -73.1 | 133.6 | 172.4 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | M106 | V104-M106 PolarHBondContact O-N 2.97Š| ||
| 105 | Q | 41.4 | Very low | 44.6 | Very low | 189 Ų | 189 | 120.2 Ų | 120.2 | 88% | 0.883 | 62% | 0.624 | S | S | * | * | trans | -67.7 | 103.6 | 170.3 | -76.3 | -178.3 | -41.4 | 0 | 0 | 109.3 | ||||
| 106 | M | 54 | Low | 45.3 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 61% | 0.611 | 63% | 0.634 | S | S | * | * | trans | -84.3 | 117.6 | 171.3 | -163.1 | 73.2 | 76 | 0 | 0 | 107.8 | V104 D110 | V104-M106 PolarHBondContact O-N 2.97Å; M106-D110 HydrophobicContact CG-CB 3.83Å; M106-D110 HydrophobicContact SD-CB 3.49Å; M106-D110 WeakPolarHBondContact SD-CB 3.15Å | ||
| 107 | T | 67.4 | Low | 45.7 | Very low | 75 Ų | 75 | 126.1 Ų | 126.1 | 46% | 0.46 | 64% | 0.638 | S | S | . | * | trans | -73.3 | 165.4 | 176.6 | 72.2 | 0 | 0 | 0 | 0 | 110.6 | K109 D110 Y111 | T107-K109 PolarHBondContact O-N 3.38Å; T107-K109 PolarHBondContact OG1-N 2.97Å; T107-D110 WeakPolarHBondContact CB-OD2 3.47Å; T107-D110 PolarHBondContact N-OD2 3.29Å; T107-D110 VanDerWaalsContact N-OD2 3.1Å; T107-D110 PolarHBondContact O-N 3.4Å; T107-D110 PolarHBondContact OG1-N 3.02Å; T107-D110 PolarHBondContact OG1-OD2 3.23Å; T107-Y111 PolarHBondContact O-N 2.78Å | ||
| 108 | V | 45.9 | Very low | 45.7 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 70% | 0.703 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59 | -37.2 | 174 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | D110 Y111 M112 | V108-D110 VanDerWaalsContact C-N 3.29Å; V108-D110 PolarHBondContact O-N 3.19Å; V108-Y111 PolarHBondContact O-N 3.33Å; V108-M112 HydrophobicContact CG1-CG 4.36Å; V108-M112 WeakPolarHBondContact O-CB 3.4Å; V108-M112 VanDerWaalsContact O-CG 3.27Å; V108-M112 WeakPolarHBondContact O-CG 3.3Å; V108-M112 PolarHBondContact O-N 2.82Å |
| 109 | K | 53.2 | Low | 46 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 49% | 0.487 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.4 | -30.8 | 175.9 | -163.9 | 155.4 | -172 | 155.9 | 0 | 112 | T107 R113 E156 | T107-K109 PolarHBondContact O-N 3.38Å; T107-K109 PolarHBondContact OG1-N 2.97Å; K109-R113 WeakPolarHBondContact O-CB 3.39Å; K109-R113 PolarHBondContact O-N 3.08Å; K109-E156 IonicContact NZ-OE1 3.42Å; K109-E156 PolarHBondContact NZ-OE1 3.18Å |
| 110 | D | 49.4 | Very low | 46.1 | Very low | 46 Ų | 46 | 127.3 Ų | 127.3 | 25% | 0.246 | 65% | 0.646 | C | S | . | * | H | α-helix | trans | -79.6 | -36.4 | 174.7 | -52.5 | -50.6 | 0 | 0 | 0 | 113 | M106 T107 V108 R113 S114 | M106-D110 HydrophobicContact CG-CB 3.83Å; M106-D110 HydrophobicContact SD-CB 3.49Å; M106-D110 WeakPolarHBondContact SD-CB 3.15Å; T107-D110 WeakPolarHBondContact CB-OD2 3.47Å; T107-D110 PolarHBondContact N-OD2 3.29Å; T107-D110 VanDerWaalsContact N-OD2 3.1Å; T107-D110 PolarHBondContact O-N 3.4Å; T107-D110 PolarHBondContact OG1-N 3.02Å; T107-D110 PolarHBondContact OG1-OD2 3.23Å; V108-D110 VanDerWaalsContact C-N 3.29Å; V108-D110 PolarHBondContact O-N 3.19Å; D110-R113 PolarHBondContact O-N 3.45Å; D110-R113 IonicContact OD1-CZ 3.56Å; D110-R113 IonicContact OD1-NH1 3.48Å; D110-R113 PolarHBondContact OD1-NH1 3.38Å; D110-R113 IonicContact OD1-NH2 2.69Å; D110-S114 WeakPolarHBondContact O-CB 3.43Å; D110-S114 PolarHBondContact O-N 3Å |
| 111 | Y | 53.2 | Low | 45.9 | Very low | 142 Ų | 142 | 124.3 Ų | 124.3 | 56% | 0.557 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.4 | -45 | 173.4 | 177.8 | -103.6 | 0 | 0 | 0 | 111.7 | T107 V108 S114 L115 | T107-Y111 PolarHBondContact O-N 2.78Å; V108-Y111 PolarHBondContact O-N 3.33Å; Y111-S114 WeakPolarHBondContact O-CB 3.45Å; Y111-S114 PolarHBondContact O-N 3.31Å; Y111-S114 VanDerWaalsContact O-N 3.17Å; Y111-L115 HydrophobicContact CD1-CD1 4.08Å; Y111-L115 HydrophobicContact CE1-CD1 3.58Å; Y111-L115 HydrophobicContact CE1-CG 4.45Å; Y111-L115 PolarHBondContact O-N 3.38Å |
| 112 | M | 49.6 | Very low | 45.7 | Very low | 90 Ų | 90 | 121.1 Ų | 121.1 | 44% | 0.443 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -60.9 | -44.7 | 173.9 | -69.5 | -66.2 | -73.2 | 0 | 0 | 111.4 | V108 S114 L115 | V108-M112 HydrophobicContact CG1-CG 4.36Å; V108-M112 WeakPolarHBondContact O-CB 3.4Å; V108-M112 VanDerWaalsContact O-CG 3.27Å; V108-M112 WeakPolarHBondContact O-CG 3.3Å; V108-M112 PolarHBondContact O-N 2.82Å; M112-S114 VanDerWaalsContact C-N 3.27Å; M112-S114 PolarHBondContact O-N 2.89Å; M112-L115 PolarHBondContact O-N 3.42Å; M112-L115 VanDerWaalsContact O-N 3.14Å; M112-L115 HydrophobicContact SD-CD1 4.39Å |
| 113 | R | 58.2 | Low | 44.9 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 55% | 0.547 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -61.1 | -35.4 | 174.4 | -161 | -175.8 | -53.5 | 106.2 | 2.8 | 112.5 | K109 D110 | K109-R113 WeakPolarHBondContact O-CB 3.39Å; K109-R113 PolarHBondContact O-N 3.08Å; D110-R113 PolarHBondContact O-N 3.45Å; D110-R113 IonicContact OD1-CZ 3.56Å; D110-R113 IonicContact OD1-NH1 3.48Å; D110-R113 PolarHBondContact OD1-NH1 3.38Å; D110-R113 IonicContact OD1-NH2 2.69Å |
| 114 | S | 46.7 | Very low | 44.9 | Very low | 47 Ų | 47 | 125.6 Ų | 125.6 | 33% | 0.329 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.1 | -26.5 | 176.3 | -173.1 | 0 | 0 | 0 | 0 | 113.6 | D110 Y111 M112 Q117 F118 | D110-S114 WeakPolarHBondContact O-CB 3.43Å; D110-S114 PolarHBondContact O-N 3Å; Y111-S114 WeakPolarHBondContact O-CB 3.45Å; Y111-S114 PolarHBondContact O-N 3.31Å; Y111-S114 VanDerWaalsContact O-N 3.17Å; M112-S114 VanDerWaalsContact C-N 3.27Å; M112-S114 PolarHBondContact O-N 2.89Å; S114-Q117 PolarHBondContact O-N 2.99Å; S114-F118 VanDerWaalsContact O-CD2 3.27Å; S114-F118 WeakPolarHBondContact O-CD2 3.46Å |
| 115 | L | 47 | Very low | 44.4 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 48% | 0.482 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.2 | -40.7 | 178.9 | -88.5 | 163.2 | 0 | 0 | 0 | 112.1 | Y111 M112 Q117 F118 | Y111-L115 HydrophobicContact CD1-CD1 4.08Å; Y111-L115 HydrophobicContact CE1-CD1 3.58Å; Y111-L115 HydrophobicContact CE1-CG 4.45Å; Y111-L115 PolarHBondContact O-N 3.38Å; M112-L115 PolarHBondContact O-N 3.42Å; M112-L115 VanDerWaalsContact O-N 3.14Å; M112-L115 HydrophobicContact SD-CD1 4.39Å; L115-Q117 PolarHBondContact O-N 2.78Å; L115-F118 PolarHBondContact O-N 2.87Å |
| 116 | H | 46.5 | Very low | 43.9 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 69% | 0.694 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -67.7 | -12.3 | 176.1 | -77.1 | -99.4 | 0 | 0 | 0 | 113.8 | F118 | H116-F118 VanDerWaalsContact C-N 3.32Å; H116-F118 PolarHBondContact O-N 3.36Å |
| 117 | Q | 43.9 | Very low | 42.8 | Very low | 161 Ų | 161 | 125.4 Ų | 125.4 | 75% | 0.752 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -86.6 | 3.6 | -178.1 | -162.7 | 145.9 | 57.5 | 0 | 0 | 114.3 | S114 L115 | S114-Q117 PolarHBondContact O-N 2.99Å; L115-Q117 PolarHBondContact O-N 2.78Å |
| 118 | F | 34.6 | Very low | 41.1 | Very low | 164 Ų | 164 | 128.6 Ų | 128.6 | 72% | 0.719 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -116 | -1.8 | -179 | -72.1 | -72.4 | 0 | 0 | 0 | 115.5 | S114 L115 H116 E120 | S114-F118 VanDerWaalsContact O-CD2 3.27Å; S114-F118 WeakPolarHBondContact O-CD2 3.46Å; L115-F118 PolarHBondContact O-N 2.87Å; H116-F118 VanDerWaalsContact C-N 3.32Å; H116-F118 PolarHBondContact O-N 3.36Å; F118-E120 PolarHBondContact O-N 3.41Å |
| 119 | S | 37.8 | Very low | 40.4 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -94 | 23.9 | -176.3 | 58.5 | 0 | 0 | 0 | 0 | 115.1 | ||
| 120 | E | 38.5 | Very low | 39.6 | Very low | 189 Ų | 189 | 133 Ų | 133 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | trans | -136.6 | 112.5 | 172.9 | -121 | -175.1 | -169.7 | 0 | 0 | 112 | F118 | F118-E120 PolarHBondContact O-N 3.41Š| ||
| 121 | T | 31.8 | Very low | 38.9 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | -115.5 | 142.2 | 171.4 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 122 | P | 35.3 | Very low | 37.9 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | trans | -94.7 | 140.2 | -143.5 | 33.9 | -36.8 | 0 | 0 | 0 | 115.4 | ||||
| 123 | I | 30 | Very low | 36.9 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | trans | -99.8 | 110.6 | 159.5 | -57.5 | -179 | 0 | 0 | 0 | 108.3 | S125 | I123-S125 PolarHBondContact O-N 3.16Š| ||
| 124 | L | 36 | Very low | 36.1 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -73.7 | 122.3 | -172.4 | -69.1 | 169.7 | 0 | 0 | 0 | 112.8 | ||||
| 125 | S | 31.7 | Very low | 35.5 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -149.7 | 56.6 | 159.3 | -83.3 | 0 | 0 | 0 | 0 | 115 | I123 | I123-S125 PolarHBondContact O-N 3.16Š| ||
| 126 | R | 31.8 | Very low | 35 | Very low | 248 Ų | 248 | 147.2 Ų | 147.2 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | 52.9 | 75.6 | 128.3 | -165.4 | -173.1 | 170.7 | 161.5 | -2.7 | 119.2 | |||||
| 127 | G | 29.4 | Very low | 34.7 | Very low | 71 Ų | 71 | 144 Ų | 144 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | 79.8 | 152.4 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 128 | T | 32.5 | Very low | 35 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | cis | -149.9 | 178.5 | 21.6 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 129 | S | 30.7 | Very low | 36.4 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 76.9 | 83.2 | 161.5 | -162.8 | 0 | 0 | 0 | 0 | 119.1 | N131 | S129-N131 PolarHBondContact O-N 2.88Å; S129-N131 VanDerWaalsContact O-N 3.12Å | ||
| 130 | F | 37 | Very low | 37.5 | Very low | 217 Ų | 217 | 133.2 Ų | 133.2 | 95% | 0.952 | 76% | 0.761 | S | S | * | * | trans | -68.2 | 96.8 | 150.8 | -92 | -98.2 | 0 | 0 | 0 | 109.8 | ||||
| 131 | N | 35.9 | Very low | 38.8 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | 173.5 | 97 | 144.5 | -96.5 | -16.4 | 0 | 0 | 0 | 111.5 | S129 | S129-N131 PolarHBondContact O-N 2.88Å; S129-N131 VanDerWaalsContact O-N 3.12Å | ||
| 132 | S | 31.3 | Very low | 40.5 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | -160.4 | 97.5 | 154.9 | -68 | 0 | 0 | 0 | 0 | 109 | ||||
| 133 | C | 27.9 | Very low | 42.1 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | 27.7 | 136.6 | 125.2 | -54.8 | 0 | 0 | 0 | 0 | 120.2 | S135 | C133-S135 PolarHBondContact O-N 2.98Å; C133-S135 PolarHBondContact O-OG 2.99Å | |||
| 134 | Y | 43.1 | Very low | 44.1 | Very low | 245 Ų | 245 | 126.1 Ų | 126.1 | 96% | 0.961 | 72% | 0.722 | S | S | * | * | trans | -26.6 | 106.9 | 158.5 | -60.7 | -92 | 0 | 0 | 0 | 112.8 | ||||
| 135 | S | 34 | Very low | 45.8 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | trans | -100.7 | 132.1 | 168.2 | -65.6 | 0 | 0 | 0 | 0 | 107.9 | C133 | C133-S135 PolarHBondContact O-N 2.98Å; C133-S135 PolarHBondContact O-OG 2.99Å | ||
| 136 | T | 34.8 | Very low | 47.6 | Very low | 133 Ų | 133 | 121.9 Ų | 121.9 | 82% | 0.816 | 68% | 0.68 | S | S | * | * | trans | -42.5 | 135 | 177.3 | 47.5 | 0 | 0 | 0 | 0 | 112.2 | S138 | T136-S138 PolarHBondContact O-N 3.34Š| ||
| 137 | A | 41.8 | Very low | 49.4 | Very low | 83 Ų | 83 | 115.7 Ų | 115.7 | 69% | 0.686 | 67% | 0.665 | S | S | * | * | trans | -53.4 | 112 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V139 | A137-V139 PolarHBondContact O-N 3.21Š| ||
| 138 | S | 50.2 | Low | 51.4 | Low | 79 Ų | 79 | 119.1 Ų | 119.1 | 55% | 0.552 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -67 | 128.4 | 170.3 | 42 | 0 | 0 | 0 | 0 | 108.1 | T136 P140 | T136-S138 PolarHBondContact O-N 3.34Å; S138-P140 WeakPolarHBondContact O-CD 3.42Å; S138-P140 VanDerWaalsContact O-N 3.15Å |
| 139 | V | 62.3 | Low | 53 | Low | 108 Ų | 108 | 118.6 Ų | 118.6 | 66% | 0.655 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 121.4 | 170.7 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | A137 Q141 W146 | A137-V139 PolarHBondContact O-N 3.21Å; V139-Q141 PolarHBondContact O-N 2.92Å; V139-W146 HydrophobicContact CG1-CZ2 3.9Å |
| 140 | P | 62.1 | Low | 54.4 | Low | 12 Ų | 12 | 122 Ų | 122 | 8% | 0.078 | 65% | 0.645 | C | S | . | * | P | Polyproline II helix | trans | -56.5 | 129.4 | -177.5 | -27.2 | 35.1 | 0 | 0 | 0 | 111 | S138 E145 W146 F149 | S138-P140 WeakPolarHBondContact O-CD 3.42Å; S138-P140 VanDerWaalsContact O-N 3.15Å; P140-E145 HydrophobicContact CB-CB 4.03Å; P140-E145 HydrophobicContact CB-CG 3.83Å; P140-W146 HydrophobicContact CB-CB 4.39Å; P140-W146 HydrophobicContact CB-CD2 3.82Å; P140-W146 HydrophobicContact CB-CE3 4.47Å; P140-W146 HydrophobicContact CB-CG 3.72Å; P140-W146 HydrophobicContact CG-CD2 3.83Å; P140-W146 HydrophobicContact CG-CE3 4Å; P140-W146 HydrophobicContact CG-CG 4.2Å; P140-W146 HydrophobicContact CG-CZ2 4.45Å; P140-W146 HydrophobicContact CG-CZ3 4.4Å; P140-W146 PolarHBondContact O-NE1 3.22Å; P140-F149 HydrophobicContact CG-CB 4.23Å; P140-F149 HydrophobicContact CG-CD2 4.45Å; P140-F149 HydrophobicContact CG-CG 4.3Å |
| 141 | Q | 65.6 | Low | 56.1 | Low | 180 Ų | 180 | 119 Ų | 119 | 84% | 0.841 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -92.8 | -4.1 | -173.4 | -59.3 | -169.9 | 6.1 | 0 | 0 | 112.3 | V139 E145 | V139-Q141 PolarHBondContact O-N 2.92Å; Q141-E145 PolarHBondContact N-OE2 3.11Å |
| 142 | S | 67.5 | Low | 57.7 | Low | 54 Ų | 54 | 116.8 Ų | 116.8 | 38% | 0.378 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -140.7 | 154.8 | 179 | 71.7 | 0 | 0 | 0 | 0 | 112.7 | E145 W146 | S142-E145 PolarHBondContact N-OE2 2.93Å; S142-E145 PolarHBondContact O-N 3.31Å; S142-E145 VanDerWaalsContact OG-CB 3.24Å; S142-E145 WeakPolarHBondContact OG-CB 3.46Å; S142-E145 PolarHBondContact OG-N 2.79Å; S142-W146 PolarHBondContact O-N 3.12Å |
| 143 | I | 68.8 | Low | 60 | Low | 132 Ų | 132 | 115.2 Ų | 115.2 | 68% | 0.677 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61 | -40.5 | 179.1 | -63.6 | 171.2 | 0 | 0 | 0 | 112.4 | E145 W146 L147 | I143-E145 PolarHBondContact O-N 2.87Å; I143-W146 PolarHBondContact O-N 3.07Å; I143-L147 HydrophobicContact CG2-CD1 4.03Å; I143-L147 HydrophobicContact CG2-CG 4.41Å; I143-L147 WeakPolarHBondContact O-CG 3.3Å; I143-L147 PolarHBondContact O-N 3.24Å |
| 144 | P | 72.6 | Confident | 62 | Low | 88 Ų | 88 | 113.9 Ų | 113.9 | 57% | 0.571 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.1 | -41.6 | 174.1 | -24.8 | 35.9 | 0 | 0 | 0 | 113.1 | W146 L147 E148 | P144-W146 VanDerWaalsContact C-N 3.33Å; P144-W146 PolarHBondContact O-N 2.95Å; P144-L147 CarbonylContact O-C 3.6Å; P144-L147 PolarHBondContact O-N 3.23Å; P144-L147 VanDerWaalsContact O-N 3.09Å; P144-E148 WeakPolarHBondContact O-CB 3.48Å; P144-E148 PolarHBondContact O-N 2.92Å |
| 145 | E | 69.9 | Low | 63.5 | Low | 74 Ų | 74 | 105.4 Ų | 105.4 | 35% | 0.346 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.2 | -31.9 | 178.8 | -167.5 | -174.7 | -164 | 0 | 0 | 111.7 | P140 Q141 S142 I143 F149 | P140-E145 HydrophobicContact CB-CB 4.03Å; P140-E145 HydrophobicContact CB-CG 3.83Å; Q141-E145 PolarHBondContact N-OE2 3.11Å; S142-E145 PolarHBondContact N-OE2 2.93Å; S142-E145 PolarHBondContact O-N 3.31Å; S142-E145 VanDerWaalsContact OG-CB 3.24Å; S142-E145 WeakPolarHBondContact OG-CB 3.46Å; S142-E145 PolarHBondContact OG-N 2.79Å; I143-E145 PolarHBondContact O-N 2.87Å; E145-F149 VanDerWaalsContact O-CB 3.25Å; E145-F149 WeakPolarHBondContact O-CB 3.44Å; E145-F149 PolarHBondContact O-N 3.46Å |
| 146 | W | 70.6 | Confident | 65.6 | Low | 107 Ų | 107 | 104.4 Ų | 104.4 | 41% | 0.405 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.8 | -45.1 | 165.7 | -84.9 | 107.3 | 0 | 0 | 0 | 112 | V139 P140 S142 I143 P144 E148 F149 W150 | V139-W146 HydrophobicContact CG1-CZ2 3.9Å; P140-W146 HydrophobicContact CB-CB 4.39Å; P140-W146 HydrophobicContact CB-CD2 3.82Å; P140-W146 HydrophobicContact CB-CE3 4.47Å; P140-W146 HydrophobicContact CB-CG 3.72Å; P140-W146 HydrophobicContact CG-CD2 3.83Å; P140-W146 HydrophobicContact CG-CE3 4Å; P140-W146 HydrophobicContact CG-CG 4.2Å; P140-W146 HydrophobicContact CG-CZ2 4.45Å; P140-W146 HydrophobicContact CG-CZ3 4.4Å; P140-W146 PolarHBondContact O-NE1 3.22Å; S142-W146 PolarHBondContact O-N 3.12Å; I143-W146 PolarHBondContact O-N 3.07Å; P144-W146 VanDerWaalsContact C-N 3.33Å; P144-W146 PolarHBondContact O-N 2.95Å; W146-E148 VanDerWaalsContact C-N 3.32Å; W146-E148 PolarHBondContact O-N 2.75Å; W146-F149 PolarHBondContact O-N 3.09Å; W146-W150 AromaticContact CE3-CD1 3.73Å; W146-W150 AromaticContact CE3-NE1 3.38Å; W146-W150 AromaticContact CZ3-NE1 3.59Å; W146-W150 PolarHBondContact O-N 2.87Å |
| 147 | L | 70.1 | Confident | 67.7 | Low | 119 Ų | 119 | 101.4 Ų | 101.4 | 62% | 0.623 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65 | -35.4 | -179.8 | -72 | 168.1 | 0 | 0 | 0 | 112.3 | I143 P144 W150 E151 | I143-L147 HydrophobicContact CG2-CD1 4.03Å; I143-L147 HydrophobicContact CG2-CG 4.41Å; I143-L147 WeakPolarHBondContact O-CG 3.3Å; I143-L147 PolarHBondContact O-N 3.24Å; P144-L147 CarbonylContact O-C 3.6Å; P144-L147 PolarHBondContact O-N 3.23Å; P144-L147 VanDerWaalsContact O-N 3.09Å; L147-W150 CarbonylContact O-C 3.3Å; L147-W150 VanDerWaalsContact O-C 3.3Å; L147-W150 PolarHBondContact O-N 3.44Å; L147-E151 PolarHBondContact O-N 3.01Å |
| 148 | E | 69.8 | Low | 69.5 | Low | 142 Ų | 142 | 101.4 Ų | 101.4 | 66% | 0.664 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.8 | -37.9 | 173.2 | -170.2 | 172 | -169.8 | 0 | 0 | 111.3 | P144 W146 W150 E151 | P144-E148 WeakPolarHBondContact O-CB 3.48Å; P144-E148 PolarHBondContact O-N 2.92Å; W146-E148 VanDerWaalsContact C-N 3.32Å; W146-E148 PolarHBondContact O-N 2.75Å; E148-W150 VanDerWaalsContact C-N 3.28Å; E148-W150 PolarHBondContact O-N 3.33Å; E148-E151 WeakPolarHBondContact O-CB 3.36Å; E148-E151 PolarHBondContact O-N 3.37Å |
| 149 | F | 67.9 | Low | 70.9 | Confident | 132 Ų | 132 | 100.8 Ų | 100.8 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69 | -24.5 | 172.6 | -164.7 | -87.1 | 0 | 0 | 0 | 113.5 | P140 E145 W146 | P140-F149 HydrophobicContact CG-CB 4.23Å; P140-F149 HydrophobicContact CG-CD2 4.45Å; P140-F149 HydrophobicContact CG-CG 4.3Å; E145-F149 VanDerWaalsContact O-CB 3.25Å; E145-F149 WeakPolarHBondContact O-CB 3.44Å; E145-F149 PolarHBondContact O-N 3.46Å; W146-F149 PolarHBondContact O-N 3.09Å |
| 150 | W | 59.5 | Low | 71.7 | Confident | 175 Ų | 175 | 102.4 Ų | 102.4 | 66% | 0.663 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 15.9 | 172.4 | -70.4 | 103.5 | 0 | 0 | 0 | 112.8 | W146 L147 E148 I152 | W146-W150 AromaticContact CE3-CD1 3.73Å; W146-W150 AromaticContact CE3-NE1 3.38Å; W146-W150 AromaticContact CZ3-NE1 3.59Å; W146-W150 PolarHBondContact O-N 2.87Å; L147-W150 CarbonylContact O-C 3.3Å; L147-W150 VanDerWaalsContact O-C 3.3Å; L147-W150 PolarHBondContact O-N 3.44Å; E148-W150 VanDerWaalsContact C-N 3.28Å; E148-W150 PolarHBondContact O-N 3.33Å; W150-I152 PolarHBondContact O-N 2.75Å |
| 151 | E | 72.1 | Confident | 72.5 | Confident | 154 Ų | 154 | 107.5 Ų | 107.5 | 72% | 0.72 | 54% | 0.538 | S | S | * | . | trans | -78.5 | 77.8 | 174.5 | -169.4 | 164.8 | -166.8 | 0 | 0 | 109.4 | L147 E148 D153 | L147-E151 PolarHBondContact O-N 3.01Å; E148-E151 WeakPolarHBondContact O-CB 3.36Å; E148-E151 PolarHBondContact O-N 3.37Å; E151-D153 PolarHBondContact O-N 3.39Å | ||
| 152 | I | 70.6 | Confident | 72.8 | Confident | 101 Ų | 101 | 101.2 Ų | 101.2 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | trans | -65.9 | 119.5 | 177.2 | -47.9 | 174.9 | 0 | 0 | 0 | 108.2 | W150 I157 | W150-I152 PolarHBondContact O-N 2.75Å; I152-I157 HydrophobicContact CB-CD1 4.09Å; I152-I157 HydrophobicContact CB-CG1 4.13Å; I152-I157 HydrophobicContact CG2-CD1 4.07Å; I152-I157 HydrophobicContact CG2-CG1 3.53Å | ||
| 153 | D | 78.2 | Confident | 72.7 | Confident | 80 Ų | 80 | 105 Ų | 105 | 43% | 0.428 | 53% | 0.532 | S | S | . | . | trans | -53.4 | 122.4 | 178.5 | -179.9 | -6.3 | 0 | 0 | 0 | 109.9 | E151 V155 E156 I157 | E151-D153 PolarHBondContact O-N 3.39Å; D153-V155 PolarHBondContact O-N 3.03Å; D153-V155 WeakPolarHBondContact OD1-CB 3.5Å; D153-V155 WeakPolarHBondContact OD1-CG2 3.22Å; D153-V155 PolarHBondContact OD1-N 3.32Å; D153-E156 HydrophobicContact CB-CB 4.32Å; D153-E156 HydrophobicContact CB-CG 4.09Å; D153-E156 PolarHBondContact O-N 3Å; D153-I157 PolarHBondContact O-N 3.23Å | ||
| 154 | P | 70.7 | Confident | 72.5 | Confident | 86 Ų | 86 | 102.2 Ų | 102.2 | 56% | 0.558 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.9 | -21.2 | 177.2 | 24.3 | -35 | 0 | 0 | 0 | 113.1 | L158 | P154-L158 VanDerWaalsContact O-CB 3.31Å; P154-L158 WeakPolarHBondContact O-CB 3.42Å; P154-L158 WeakPolarHBondContact O-CD1 3.47Å; P154-L158 WeakPolarHBondContact O-CG 3.46Å; P154-L158 PolarHBondContact O-N 3.44Å |
| 155 | V | 74.9 | Confident | 72.3 | Confident | 66 Ų | 66 | 101.3 Ų | 101.3 | 40% | 0.4 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.2 | -40.3 | 172.3 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | D153 L158 L159 | D153-V155 PolarHBondContact O-N 3.03Å; D153-V155 WeakPolarHBondContact OD1-CB 3.5Å; D153-V155 WeakPolarHBondContact OD1-CG2 3.22Å; D153-V155 PolarHBondContact OD1-N 3.32Å; V155-L158 PolarHBondContact O-N 2.96Å; V155-L159 HydrophobicContact CG1-CD1 4.26Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.45Å; V155-L159 PolarHBondContact O-N 3.1Å |
| 156 | E | 78 | Confident | 72.4 | Confident | 87 Ų | 87 | 105.5 Ų | 105.5 | 41% | 0.407 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71 | -39.7 | 175.3 | -62 | -91 | 115.9 | 0 | 0 | 109.9 | K109 D153 L158 L159 D160 | K109-E156 IonicContact NZ-OE1 3.42Å; K109-E156 PolarHBondContact NZ-OE1 3.18Å; D153-E156 HydrophobicContact CB-CB 4.32Å; D153-E156 HydrophobicContact CB-CG 4.09Å; D153-E156 PolarHBondContact O-N 3Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 2.85Å; E156-L159 PolarHBondContact O-N 2.96Å; E156-D160 PolarHBondContact O-N 3.45Å |
| 157 | I | 79.2 | Confident | 72.3 | Confident | 70 Ų | 70 | 108.9 Ų | 108.9 | 36% | 0.359 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -55.8 | -45.3 | 170.5 | -59.5 | 176.3 | 0 | 0 | 0 | 111.2 | I152 D153 D160 L161 | I152-I157 HydrophobicContact CB-CD1 4.09Å; I152-I157 HydrophobicContact CB-CG1 4.13Å; I152-I157 HydrophobicContact CG2-CD1 4.07Å; I152-I157 HydrophobicContact CG2-CG1 3.53Å; D153-I157 PolarHBondContact O-N 3.23Å; I157-D160 PolarHBondContact O-N 2.89Å; I157-L161 HydrophobicContact CG2-CD1 3.86Å; I157-L161 HydrophobicContact CG2-CG 4.41Å; I157-L161 WeakPolarHBondContact O-CB 3.48Å; I157-L161 VanDerWaalsContact O-CG 3.24Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å; I157-L161 PolarHBondContact O-N 3.41Å |
| 158 | L | 79.3 | Confident | 72.2 | Confident | 84 Ų | 84 | 107.6 Ų | 107.6 | 44% | 0.44 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.6 | -40.2 | 179.1 | -78.8 | 168.1 | 0 | 0 | 0 | 111.9 | P154 V155 E156 L161 G162 F163 | P154-L158 VanDerWaalsContact O-CB 3.31Å; P154-L158 WeakPolarHBondContact O-CB 3.42Å; P154-L158 WeakPolarHBondContact O-CD1 3.47Å; P154-L158 WeakPolarHBondContact O-CG 3.46Å; P154-L158 PolarHBondContact O-N 3.44Å; V155-L158 PolarHBondContact O-N 2.96Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 2.85Å; L158-L161 CarbonylContact O-C 3.41Å; L158-L161 PolarHBondContact O-N 2.72Å; L158-G162 PolarHBondContact O-N 2.84Å; L158-F163 HydrophobicContact CB-CB 4.17Å; L158-F163 HydrophobicContact CD2-CB 4.11Å; L158-F163 HydrophobicContact CD2-CD2 3.76Å; L158-F163 HydrophobicContact CD2-CE2 4.36Å; L158-F163 HydrophobicContact CD2-CG 3.97Å; L158-F163 WeakPolarHBondContact O-CA 3.39Å; L158-F163 WeakPolarHBondContact O-CB 3.36Å; L158-F163 PolarHBondContact O-N 2.64Å |
| 159 | L | 79.4 | Confident | 72 | Confident | 65 Ų | 65 | 106.6 Ų | 106.6 | 34% | 0.34 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.2 | -42.8 | 176.2 | -73.2 | 167.9 | 0 | 0 | 0 | 112.3 | V155 E156 L161 G162 | V155-L159 HydrophobicContact CG1-CD1 4.26Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.45Å; V155-L159 PolarHBondContact O-N 3.1Å; E156-L159 PolarHBondContact O-N 2.96Å; L159-L161 VanDerWaalsContact C-N 3.31Å; L159-L161 PolarHBondContact O-N 3.18Å; L159-G162 WeakPolarHBondContact O-CA 3.43Å; L159-G162 PolarHBondContact O-N 3.11Å |
| 160 | D | 79.6 | Confident | 71.8 | Confident | 143 Ų | 143 | 105.8 Ų | 105.8 | 77% | 0.765 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.4 | -33 | 176.2 | -75.6 | -14.1 | 0 | 0 | 0 | 112.1 | E156 I157 G162 | E156-D160 PolarHBondContact O-N 3.45Å; I157-D160 PolarHBondContact O-N 2.89Å; D160-G162 PolarHBondContact O-N 2.94Å |
| 161 | L | 78.9 | Confident | 71.9 | Confident | 118 Ų | 118 | 101.2 Ų | 101.2 | 62% | 0.618 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 4.8 | 169.1 | -68.6 | 174.3 | 0 | 0 | 0 | 113.5 | I157 L158 L159 F163 | I157-L161 HydrophobicContact CG2-CD1 3.86Å; I157-L161 HydrophobicContact CG2-CG 4.41Å; I157-L161 WeakPolarHBondContact O-CB 3.48Å; I157-L161 VanDerWaalsContact O-CG 3.24Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å; I157-L161 PolarHBondContact O-N 3.41Å; L158-L161 CarbonylContact O-C 3.41Å; L158-L161 PolarHBondContact O-N 2.72Å; L159-L161 VanDerWaalsContact C-N 3.31Å; L159-L161 PolarHBondContact O-N 3.18Å; L161-F163 HydrophobicContact CB-CD2 3.76Å; L161-F163 HydrophobicContact CB-CE2 3.91Å |
| 162 | G | 71.3 | Confident | 71.5 | Confident | 48 Ų | 48 | 101.3 Ų | 101.3 | 50% | 0.495 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 82.8 | 1.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L158 L159 D160 G164 | L158-G162 PolarHBondContact O-N 2.84Å; L159-G162 WeakPolarHBondContact O-CA 3.43Å; L159-G162 PolarHBondContact O-N 3.11Å; D160-G162 PolarHBondContact O-N 2.94Å; G162-G164 PolarHBondContact O-N 3.38Å |
| 163 | F | 64.8 | Low | 71.4 | Confident | 134 Ų | 134 | 103.8 Ų | 103.8 | 59% | 0.588 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 122.4 | 176.6 | -63.8 | -90.6 | 0 | 0 | 0 | 110.9 | L158 L161 | L158-F163 HydrophobicContact CB-CB 4.17Å; L158-F163 HydrophobicContact CD2-CB 4.11Å; L158-F163 HydrophobicContact CD2-CD2 3.76Å; L158-F163 HydrophobicContact CD2-CE2 4.36Å; L158-F163 HydrophobicContact CD2-CG 3.97Å; L158-F163 WeakPolarHBondContact O-CA 3.39Å; L158-F163 WeakPolarHBondContact O-CB 3.36Å; L158-F163 PolarHBondContact O-N 2.64Å; L161-F163 HydrophobicContact CB-CD2 3.76Å; L161-F163 HydrophobicContact CB-CE2 3.91Å |
| 164 | G | 65.5 | Low | 71.1 | Confident | 73 Ų | 73 | 103 Ų | 103 | 75% | 0.753 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.4 | 5.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G162 | G162-G164 PolarHBondContact O-N 3.38Š|
| 165 | A | 69.1 | Low | 71.5 | Confident | 69 Ų | 69 | 101.5 Ų | 101.5 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -68.7 | 146.5 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | E167 | A165-E167 PolarHBondContact O-N 2.82Š|
| 166 | D | 70.7 | Confident | 71.1 | Confident | 163 Ų | 163 | 102.1 Ų | 102.1 | 87% | 0.872 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 121 | 172.3 | -71.9 | -47.3 | 0 | 0 | 0 | 109.5 | ||
| 167 | E | 69.8 | Low | 70.9 | Confident | 177 Ų | 177 | 106.1 Ų | 106.1 | 83% | 0.827 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 125.2 | -179.3 | -171.5 | 177 | -174.4 | 0 | 0 | 109.9 | A165 D169 | A165-E167 PolarHBondContact O-N 2.82Å; E167-D169 PolarHBondContact O-N 3.48Å |
| 168 | P | 66.8 | Low | 70.2 | Confident | 93 Ų | 93 | 108.8 Ų | 108.8 | 60% | 0.604 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -66 | 122.8 | -174.8 | 25.7 | -33.9 | 0 | 0 | 0 | 110.4 | I170 | P168-I170 PolarHBondContact O-N 3.36Š|
| 169 | D | 65.3 | Low | 69.8 | Low | 121 Ų | 121 | 110.2 Ų | 110.2 | 65% | 0.647 | 61% | 0.61 | S | S | * | * | trans | -41.3 | 127.3 | -176.2 | -145.6 | -15 | 0 | 0 | 0 | 111.8 | E167 C171 M172 | E167-D169 PolarHBondContact O-N 3.48Å; D169-C171 PolarHBondContact O-N 3.14Å; D169-M172 HydrophobicContact CB-CG 4.42Å; D169-M172 WeakPolarHBondContact O-CB 3.16Å; D169-M172 PolarHBondContact O-N 3.17Å | ||
| 170 | I | 65 | Low | 69.4 | Low | 115 Ų | 115 | 110.4 Ų | 110.4 | 59% | 0.59 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -55 | -30 | -168.3 | -51.5 | 172.2 | 0 | 0 | 0 | 111.5 | P168 M172 Q173 I174 | P168-I170 PolarHBondContact O-N 3.36Å; I170-M172 VanDerWaalsContact C-N 3.26Å; I170-M172 PolarHBondContact O-N 2.77Å; I170-Q173 PolarHBondContact O-N 3.31Å; I170-Q173 VanDerWaalsContact O-N 3.17Å; I170-I174 HydrophobicContact CG2-CD1 4.3Å; I170-I174 WeakPolarHBondContact O-CG1 3.24Å; I170-I174 PolarHBondContact O-N 3.15Å; I170-I174 VanDerWaalsContact O-N 3.14Å |
| 171 | C | 60 | Low | 69.1 | Low | 78 Ų | 78 | 108 Ų | 108 | 53% | 0.527 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.7 | -23.9 | 176.1 | -61.1 | 0 | 0 | 0 | 0 | 114.5 | D169 | D169-C171 PolarHBondContact O-N 3.14Å |
| 172 | M | 65.1 | Low | 68.6 | Low | 157 Ų | 157 | 106.4 Ų | 106.4 | 77% | 0.773 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -82.2 | -30.9 | 173.7 | -64.5 | -61.3 | -64.5 | 0 | 0 | 112.1 | D169 I170 I174 | D169-M172 HydrophobicContact CB-CG 4.42Å; D169-M172 WeakPolarHBondContact O-CB 3.16Å; D169-M172 PolarHBondContact O-N 3.17Å; I170-M172 VanDerWaalsContact C-N 3.26Å; I170-M172 PolarHBondContact O-N 2.77Å; M172-I174 VanDerWaalsContact C-N 3.32Å |
| 173 | Q | 67.8 | Low | 68.5 | Low | 152 Ų | 152 | 109.1 Ų | 109.1 | 71% | 0.71 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.9 | -25.7 | 175.5 | -159.1 | -177 | 62.3 | 0 | 0 | 111.9 | I170 P175 | I170-Q173 PolarHBondContact O-N 3.31Å; I170-Q173 VanDerWaalsContact O-N 3.17Å; Q173-P175 VanDerWaalsContact O-CD 3.27Å; Q173-P175 WeakPolarHBondContact O-CD 3.49Å |
| 174 | I | 73.1 | Confident | 68.7 | Low | 64 Ų | 64 | 107.6 Ų | 107.6 | 33% | 0.328 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -77.4 | 114.9 | 173 | -65.7 | 165.7 | 0 | 0 | 0 | 110 | I170 M172 A176 F178 L179 | I170-I174 HydrophobicContact CG2-CD1 4.3Å; I170-I174 WeakPolarHBondContact O-CG1 3.24Å; I170-I174 PolarHBondContact O-N 3.15Å; I170-I174 VanDerWaalsContact O-N 3.14Å; M172-I174 VanDerWaalsContact C-N 3.32Å; I174-A176 PolarHBondContact O-N 2.85Å; I174-F178 HydrophobicContact CG2-CB 3.87Å; I174-F178 HydrophobicContact CG2-CD2 4.24Å; I174-L179 HydrophobicContact CG2-CD2 4.26Å; I174-L179 HydrophobicContact CG2-CG 4.2Å |
| 175 | P | 77.5 | Confident | 68.8 | Low | 55 Ų | 55 | 107.8 Ų | 107.8 | 36% | 0.357 | 65% | 0.651 | S | S | . | * | trans | -61.5 | 131.6 | 178.7 | -25.4 | 36.2 | 0 | 0 | 0 | 112 | Q173 R177 F178 | Q173-P175 VanDerWaalsContact O-CD 3.27Å; Q173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-R177 HydrophobicContact CB-CG 4.22Å; P175-R177 PolarHBondContact O-N 3.17Å; P175-F178 HydrophobicContact CB-CD2 4.29Å; P175-F178 HydrophobicContact CB-CE2 4.44Å; P175-F178 HydrophobicContact CG-CD2 4.45Å; P175-F178 HydrophobicContact CG-CE2 4.31Å; P175-F178 WeakPolarHBondContact O-CD2 3.36Å; P175-F178 PolarHBondContact O-N 3.44Å | ||
| 176 | A | 68.1 | Low | 68.7 | Low | 78 Ų | 78 | 116.4 Ų | 116.4 | 65% | 0.645 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -51.3 | -22.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116 | I174 F178 L179 G180 | I174-A176 PolarHBondContact O-N 2.85Å; A176-F178 PolarHBondContact O-N 3.12Å; A176-L179 PolarHBondContact O-N 3.42Å; A176-G180 PolarHBondContact O-N 2.84Å |
| 177 | R | 72.4 | Confident | 68.9 | Low | 171 Ų | 171 | 112 Ų | 112 | 65% | 0.645 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -52 | -32.8 | 170.6 | 68.5 | -173.3 | -177.9 | -115.5 | 3.1 | 113.9 | P175 | P175-R177 HydrophobicContact CB-CG 4.22Å; P175-R177 PolarHBondContact O-N 3.17Å |
| 178 | F | 65.4 | Low | 69.2 | Low | 126 Ų | 126 | 110 Ų | 110 | 55% | 0.553 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -82.3 | -18.5 | 178.8 | -63 | -68.7 | 0 | 0 | 0 | 113.6 | I174 P175 A176 | I174-F178 HydrophobicContact CG2-CB 3.87Å; I174-F178 HydrophobicContact CG2-CD2 4.24Å; P175-F178 HydrophobicContact CB-CD2 4.29Å; P175-F178 HydrophobicContact CB-CE2 4.44Å; P175-F178 HydrophobicContact CG-CD2 4.45Å; P175-F178 HydrophobicContact CG-CE2 4.31Å; P175-F178 WeakPolarHBondContact O-CD2 3.36Å; P175-F178 PolarHBondContact O-N 3.44Å; A176-F178 PolarHBondContact O-N 3.12Å |
| 179 | L | 71.4 | Confident | 69.9 | Low | 115 Ų | 115 | 109.9 Ų | 109.9 | 60% | 0.602 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -26.4 | 175.9 | -57.8 | 177.4 | 0 | 0 | 0 | 111.8 | I174 A176 | I174-L179 HydrophobicContact CG2-CD2 4.26Å; I174-L179 HydrophobicContact CG2-CG 4.2Å; A176-L179 PolarHBondContact O-N 3.42Å |
| 180 | G | 70.7 | Confident | 70.8 | Confident | 68 Ų | 68 | 109.8 Ų | 109.8 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -82.1 | -12.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | A176 | A176-G180 PolarHBondContact O-N 2.84Š|
| 181 | C | 71.8 | Confident | 71.6 | Confident | 94 Ų | 94 | 113.8 Ų | 113.8 | 64% | 0.635 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -122.9 | 129.7 | -178.8 | -65.5 | 0 | 0 | 0 | 0 | 111 | S183 | C181-S183 PolarHBondContact O-N 3.26Š|
| 182 | G | 68.4 | Low | 72.9 | Confident | 83 Ų | 83 | 114.1 Ų | 114.1 | 86% | 0.856 | 66% | 0.655 | S | S | * | * | trans | -64.9 | 127.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | A184 | G182-A184 PolarHBondContact O-N 3.39Š| ||
| 183 | S | 70.3 | Confident | 73.9 | Confident | 105 Ų | 105 | 111.2 Ų | 111.2 | 73% | 0.734 | 64% | 0.638 | S | S | * | * | trans | -65.4 | 127.5 | -177.8 | -175.4 | 0 | 0 | 0 | 0 | 112 | C181 A185 | C181-S183 PolarHBondContact O-N 3.26Å; S183-A185 VanDerWaalsContact C-N 3.3Å; S183-A185 WeakPolarHBondContact OG-CB 3.24Å; S183-A185 PolarHBondContact OG-N 3.36Å | ||
| 184 | A | 67.9 | Low | 75 | Confident | 103 Ų | 103 | 108.9 Ų | 108.9 | 85% | 0.851 | 63% | 0.63 | S | S | * | * | trans | -84.2 | -3.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G182 R186 | G182-A184 PolarHBondContact O-N 3.39Å; A184-R186 PolarHBondContact O-N 3.1Å | ||
| 185 | A | 68.4 | Low | 75.8 | Confident | 77 Ų | 77 | 111.4 Ų | 111.4 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 116.5 | -177 | 0 | 0 | 0 | 0 | 0 | 111.2 | S183 G187 | S183-A185 VanDerWaalsContact C-N 3.3Å; S183-A185 WeakPolarHBondContact OG-CB 3.24Å; S183-A185 PolarHBondContact OG-N 3.36Å; A185-G187 PolarHBondContact O-N 2.89Å |
| 186 | R | 67.1 | Low | 76.3 | Confident | 250 Ų | 250 | 110.3 Ų | 110.3 | 94% | 0.943 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 117.6 | 161 | -73.3 | -175.1 | 169.7 | -146.4 | -1.4 | 107.8 | A184 | A184-R186 PolarHBondContact O-N 3.1Š|
| 187 | G | 73.8 | Confident | 77.3 | Confident | 70 Ų | 70 | 110.6 Ų | 110.6 | 72% | 0.722 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 153.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A185 N189 | A185-G187 PolarHBondContact O-N 2.89Å; G187-N189 PolarHBondContact O-N 3.23Å |
| 188 | I | 77.2 | Confident | 77.8 | Confident | 134 Ų | 134 | 108.2 Ų | 108.2 | 69% | 0.687 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 129.4 | -177.2 | -59.5 | 172.2 | 0 | 0 | 0 | 110.4 | I190 F193 | I188-I190 PolarHBondContact O-N 3.14Å; I188-F193 HydrophobicContact CG2-CB 3.92Å; I188-F193 HydrophobicContact CG2-CG 4.46Å |
| 189 | N | 82.1 | Confident | 78.5 | Confident | 91 Ų | 91 | 107.6 Ų | 107.6 | 49% | 0.487 | 62% | 0.616 | S | S | . | * | trans | -71.1 | 98.7 | 170.3 | -175.7 | -8.8 | 0 | 0 | 0 | 109.4 | G187 R191 V192 F193 | G187-N189 PolarHBondContact O-N 3.23Å; N189-R191 PolarHBondContact O-N 2.85Å; N189-R191 PolarHBondContact OD1-N 2.89Å; N189-V192 HydrophobicContact CB-CB 4.42Å; N189-V192 HydrophobicContact CB-CG2 4.24Å; N189-V192 PolarHBondContact O-N 2.97Å; N189-V192 VanDerWaalsContact O-N 3.1Å; N189-F193 PolarHBondContact O-N 3.11Å | ||
| 190 | I | 84 | Confident | 79 | Confident | 119 Ų | 119 | 108.5 Ų | 108.5 | 61% | 0.61 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -53.4 | -31.4 | -176 | -60.6 | 172.2 | 0 | 0 | 0 | 112.1 | I188 L194 | I188-I190 PolarHBondContact O-N 3.14Å; I190-L194 HydrophobicContact CG2-CD1 3.74Å; I190-L194 HydrophobicContact CG2-CG 4.12Å; I190-L194 WeakPolarHBondContact O-CB 3.3Å; I190-L194 VanDerWaalsContact O-CG 3.26Å; I190-L194 WeakPolarHBondContact O-CG 3.44Å; I190-L194 PolarHBondContact O-N 3.09Å |
| 191 | R | 82.3 | Confident | 79.5 | Confident | 200 Ų | 200 | 110.7 Ų | 110.7 | 76% | 0.755 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.7 | -54.1 | 178 | -55.9 | -178.3 | -165.9 | -90.7 | 0.8 | 111 | N189 F193 L194 E195 | N189-R191 PolarHBondContact O-N 2.85Å; N189-R191 PolarHBondContact OD1-N 2.89Å; R191-F193 VanDerWaalsContact C-N 3.3Å; R191-F193 PolarHBondContact O-N 3.46Å; R191-L194 PolarHBondContact O-N 2.95Å; R191-E195 WeakPolarHBondContact O-CB 3.2Å; R191-E195 PolarHBondContact O-N 2.95Å |
| 192 | V | 85.6 | Confident | 79.6 | Confident | 85 Ų | 85 | 110.3 Ų | 110.3 | 52% | 0.515 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.3 | -38.7 | 179.2 | -180 | 0 | 0 | 0 | 0 | 110.8 | N189 E195 A196 | N189-V192 HydrophobicContact CB-CB 4.42Å; N189-V192 HydrophobicContact CB-CG2 4.24Å; N189-V192 PolarHBondContact O-N 2.97Å; N189-V192 VanDerWaalsContact O-N 3.1Å; V192-E195 PolarHBondContact O-N 3.35Å; V192-A196 VanDerWaalsContact O-CB 3.29Å; V192-A196 WeakPolarHBondContact O-CB 3.25Å; V192-A196 PolarHBondContact O-N 3.44Å |
| 193 | F | 87.7 | Confident | 79.9 | Confident | 96 Ų | 96 | 112.9 Ų | 112.9 | 42% | 0.421 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.5 | -47.7 | 174.7 | 174.8 | -96.2 | 0 | 0 | 0 | 112.6 | I188 N189 R191 E195 A196 Q197 | I188-F193 HydrophobicContact CG2-CB 3.92Å; I188-F193 HydrophobicContact CG2-CG 4.46Å; N189-F193 PolarHBondContact O-N 3.11Å; R191-F193 VanDerWaalsContact C-N 3.3Å; R191-F193 PolarHBondContact O-N 3.46Å; F193-E195 VanDerWaalsContact C-N 3.35Å; F193-A196 PolarHBondContact O-N 2.95Å; F193-Q197 HydrophobicContact CD1-CG 4.25Å; F193-Q197 HydrophobicContact CE1-CG 3.84Å; F193-Q197 HydrophobicContact CE2-CG 4.2Å; F193-Q197 HydrophobicContact CZ-CG 3.81Å; F193-Q197 WeakPolarHBondContact O-CB 3.25Å; F193-Q197 VanDerWaalsContact O-CG 3.24Å; F193-Q197 WeakPolarHBondContact O-CG 3.45Å; F193-Q197 PolarHBondContact O-N 3.41Å |
| 194 | L | 91.1 | Very high | 80.2 | Confident | 103 Ų | 103 | 115.8 Ų | 115.8 | 54% | 0.539 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.2 | -34 | 179.3 | -71 | 174.4 | 0 | 0 | 0 | 112.4 | I190 R191 Q197 K198 | I190-L194 HydrophobicContact CG2-CD1 3.74Å; I190-L194 HydrophobicContact CG2-CG 4.12Å; I190-L194 WeakPolarHBondContact O-CB 3.3Å; I190-L194 VanDerWaalsContact O-CG 3.26Å; I190-L194 WeakPolarHBondContact O-CG 3.44Å; I190-L194 PolarHBondContact O-N 3.09Å; R191-L194 PolarHBondContact O-N 2.95Å; L194-Q197 PolarHBondContact O-N 3.48Å; L194-K198 WeakPolarHBondContact O-CB 3.35Å; L194-K198 PolarHBondContact O-N 2.94Å |
| 195 | E | 88.8 | Confident | 80.2 | Confident | 117 Ų | 117 | 115.6 Ų | 115.6 | 55% | 0.547 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.6 | -46.7 | 175.7 | -171.2 | 157.3 | -143.7 | 0 | 0 | 111.4 | R191 V192 F193 Q197 K198 Q199 | R191-E195 WeakPolarHBondContact O-CB 3.2Å; R191-E195 PolarHBondContact O-N 2.95Å; V192-E195 PolarHBondContact O-N 3.35Å; F193-E195 VanDerWaalsContact C-N 3.35Å; E195-Q197 VanDerWaalsContact C-N 3.29Å; E195-Q197 PolarHBondContact O-N 3.27Å; E195-K198 PolarHBondContact O-N 2.66Å; E195-Q199 WeakPolarHBondContact O-CG 3.21Å; E195-Q199 PolarHBondContact O-N 3.34Å |
| 196 | A | 88.9 | Confident | 80.1 | Confident | 31 Ų | 31 | 115.4 Ų | 115.4 | 26% | 0.256 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.1 | -20.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | V192 F193 R200 | V192-A196 VanDerWaalsContact O-CB 3.29Å; V192-A196 WeakPolarHBondContact O-CB 3.25Å; V192-A196 PolarHBondContact O-N 3.44Å; F193-A196 PolarHBondContact O-N 2.95Å; A196-R200 PolarHBondContact O-N 2.92Å; A196-R200 PolarHBondContact O-NE 3.01Å; A196-R200 PolarHBondContact O-NH2 3.17Å |
| 197 | Q | 87.4 | Confident | 80 | Confident | 85 Ų | 85 | 109 Ų | 109 | 40% | 0.397 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -74.3 | -46.3 | 168 | -81.2 | -75.1 | -16.1 | 0 | 0 | 110.7 | F193 L194 E195 R200 M201 | F193-Q197 HydrophobicContact CD1-CG 4.25Å; F193-Q197 HydrophobicContact CE1-CG 3.84Å; F193-Q197 HydrophobicContact CE2-CG 4.2Å; F193-Q197 HydrophobicContact CZ-CG 3.81Å; F193-Q197 WeakPolarHBondContact O-CB 3.25Å; F193-Q197 VanDerWaalsContact O-CG 3.24Å; F193-Q197 WeakPolarHBondContact O-CG 3.45Å; F193-Q197 PolarHBondContact O-N 3.41Å; L194-Q197 PolarHBondContact O-N 3.48Å; E195-Q197 VanDerWaalsContact C-N 3.29Å; E195-Q197 PolarHBondContact O-N 3.27Å; Q197-R200 PolarHBondContact O-N 2.81Å; Q197-M201 PolarHBondContact O-N 2.94Å |
| 198 | K | 83.4 | Confident | 79.5 | Confident | 120 Ų | 120 | 109.4 Ų | 109.4 | 52% | 0.522 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 177.1 | -168 | -151.6 | 170.8 | -138.7 | 0 | 111.5 | L194 E195 R200 M201 D202 | L194-K198 WeakPolarHBondContact O-CB 3.35Å; L194-K198 PolarHBondContact O-N 2.94Å; E195-K198 PolarHBondContact O-N 2.66Å; K198-R200 VanDerWaalsContact C-N 3.31Å; K198-R200 PolarHBondContact O-N 3.22Å; K198-M201 PolarHBondContact O-N 2.99Å; K198-M201 VanDerWaalsContact O-N 3.15Å; K198-D202 WeakPolarHBondContact CE-OD2 3.47Å; K198-D202 IonicContact NZ-OD2 2.73Å; K198-D202 PolarHBondContact NZ-OD2 2.92Å; K198-D202 VanDerWaalsContact NZ-OD2 3.12Å; K198-D202 WeakPolarHBondContact O-CB 3.43Å; K198-D202 PolarHBondContact O-N 3.06Å |
| 199 | Q | 81.1 | Confident | 78.9 | Confident | 113 Ų | 113 | 109.2 Ų | 109.2 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.3 | -42.9 | 177.5 | -74.4 | 174 | -18.9 | 0 | 0 | 112.2 | E195 D202 I203 | E195-Q199 WeakPolarHBondContact O-CG 3.21Å; E195-Q199 PolarHBondContact O-N 3.34Å; Q199-D202 PolarHBondContact O-N 3.2Å; Q199-I203 WeakPolarHBondContact O-CD1 3.46Å; Q199-I203 VanDerWaalsContact O-CG1 3.23Å; Q199-I203 WeakPolarHBondContact O-CG1 3.45Å; Q199-I203 PolarHBondContact O-N 2.89Å |
| 200 | R | 82.3 | Confident | 78.2 | Confident | 134 Ų | 134 | 106.6 Ų | 106.6 | 51% | 0.506 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 174.4 | -86.9 | 176.5 | -76.1 | -178.2 | -8.5 | 112.3 | A196 Q197 K198 D202 I203 E204 | A196-R200 PolarHBondContact O-N 2.92Å; A196-R200 PolarHBondContact O-NE 3.01Å; A196-R200 PolarHBondContact O-NH2 3.17Å; Q197-R200 PolarHBondContact O-N 2.81Å; K198-R200 VanDerWaalsContact C-N 3.31Å; K198-R200 PolarHBondContact O-N 3.22Å; R200-D202 VanDerWaalsContact C-N 3.34Å; R200-D202 PolarHBondContact O-N 3.38Å; R200-I203 PolarHBondContact O-N 2.91Å; R200-E204 WeakPolarHBondContact O-CB 3.48Å; R200-E204 PolarHBondContact O-N 3.24Å |
| 201 | M | 79.6 | Confident | 77.4 | Confident | 115 Ų | 115 | 107.4 Ų | 107.4 | 57% | 0.567 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -38 | 176.4 | -177 | 174.6 | 58.8 | 0 | 0 | 112.9 | Q197 K198 I203 N205 | Q197-M201 PolarHBondContact O-N 2.94Å; K198-M201 PolarHBondContact O-N 2.99Å; K198-M201 VanDerWaalsContact O-N 3.15Å; M201-I203 VanDerWaalsContact C-N 3.32Å; M201-N205 WeakPolarHBondContact O-CB 3.45Å; M201-N205 PolarHBondContact O-N 3.07Å |
| 202 | D | 73.7 | Confident | 76.6 | Confident | 86 Ų | 86 | 104.1 Ų | 104.1 | 46% | 0.46 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -30 | 176.7 | -70.9 | -22.9 | 0 | 0 | 0 | 111.8 | K198 Q199 R200 | K198-D202 WeakPolarHBondContact CE-OD2 3.47Å; K198-D202 IonicContact NZ-OD2 2.73Å; K198-D202 PolarHBondContact NZ-OD2 2.92Å; K198-D202 VanDerWaalsContact NZ-OD2 3.12Å; K198-D202 WeakPolarHBondContact O-CB 3.43Å; K198-D202 PolarHBondContact O-N 3.06Å; Q199-D202 PolarHBondContact O-N 3.2Å; R200-D202 VanDerWaalsContact C-N 3.34Å; R200-D202 PolarHBondContact O-N 3.38Å |
| 203 | I | 75.7 | Confident | 76 | Confident | 136 Ų | 136 | 106 Ų | 106 | 70% | 0.697 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -82.5 | -46.2 | 176 | -68.1 | 163.9 | 0 | 0 | 0 | 112 | Q199 R200 M201 N205 | Q199-I203 WeakPolarHBondContact O-CD1 3.46Å; Q199-I203 VanDerWaalsContact O-CG1 3.23Å; Q199-I203 WeakPolarHBondContact O-CG1 3.45Å; Q199-I203 PolarHBondContact O-N 2.89Å; R200-I203 PolarHBondContact O-N 2.91Å; M201-I203 VanDerWaalsContact C-N 3.32Å; I203-N205 VanDerWaalsContact C-N 3.35Å |
| 204 | E | 76.9 | Confident | 75.5 | Confident | 166 Ų | 166 | 107.8 Ų | 107.8 | 78% | 0.776 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.4 | -29 | -176.2 | -172.5 | -179.6 | 170 | 0 | 0 | 112.2 | R200 P206 | R200-E204 WeakPolarHBondContact O-CB 3.48Å; R200-E204 PolarHBondContact O-N 3.24Å; E204-P206 WeakPolarHBondContact O-CD 3.46Å |
| 205 | N | 66.6 | Low | 75 | Confident | 99 Ų | 99 | 107.9 Ų | 107.9 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -115.6 | 67.4 | 179.1 | -158.5 | -20.8 | 0 | 0 | 0 | 111.9 | M201 I203 N207 | M201-N205 WeakPolarHBondContact O-CB 3.45Å; M201-N205 PolarHBondContact O-N 3.07Å; I203-N205 VanDerWaalsContact C-N 3.35Å; N205-N207 PolarHBondContact O-N 3.21Å |
| 206 | P | 66.4 | Low | 74.7 | Confident | 73 Ų | 73 | 107.7 Ų | 107.7 | 47% | 0.474 | 52% | 0.518 | S | S | . | . | trans | -61.3 | 112.6 | -176.1 | 25.1 | -34 | 0 | 0 | 0 | 110.4 | E204 L208 | E204-P206 WeakPolarHBondContact O-CD 3.46Å; P206-L208 PolarHBondContact O-N 3.24Å; P206-L208 VanDerWaalsContact O-N 3.12Å | ||
| 207 | N | 64.8 | Low | 74.6 | Confident | 116 Ų | 116 | 111.5 Ų | 111.5 | 62% | 0.62 | 53% | 0.533 | S | S | * | . | trans | -43.7 | 108.8 | -156.4 | -174.9 | -2.6 | 0 | 0 | 0 | 114.2 | N205 Y209 G210 | N205-N207 PolarHBondContact O-N 3.21Å; N207-Y209 PolarHBondContact O-N 3.32Å; N207-Y209 WeakPolarHBondContact OD1-CB 3.14Å; N207-Y209 PolarHBondContact OD1-N 3.02Å; N207-G210 PolarHBondContact O-N 3.3Å | ||
| 208 | L | 63.6 | Low | 74.6 | Confident | 79 Ų | 79 | 112.2 Ų | 112.2 | 41% | 0.414 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -55.1 | -27.4 | -179.3 | -58.3 | -177.3 | 0 | 0 | 0 | 113.2 | P206 G210 R211 F212 | P206-L208 PolarHBondContact O-N 3.24Å; P206-L208 VanDerWaalsContact O-N 3.12Å; L208-G210 PolarHBondContact O-N 3.36Å; L208-R211 PolarHBondContact O-N 3.43Å; L208-F212 HydrophobicContact CB-CD2 4.07Å; L208-F212 HydrophobicContact CB-CE2 3.91Å; L208-F212 WeakPolarHBondContact O-CD2 3.42Å; L208-F212 PolarHBondContact O-N 3.16Å |
| 209 | Y | 65.1 | Low | 74.8 | Confident | 130 Ų | 130 | 110.2 Ų | 110.2 | 51% | 0.51 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56 | -32.7 | 175.2 | -175.7 | -117.5 | 0 | 0 | 0 | 113 | N207 F212 R213 | N207-Y209 PolarHBondContact O-N 3.32Å; N207-Y209 WeakPolarHBondContact OD1-CB 3.14Å; N207-Y209 PolarHBondContact OD1-N 3.02Å; Y209-F212 PolarHBondContact O-N 3.01Å; Y209-R213 HydrophobicContact CD2-CG 4.45Å; Y209-R213 HydrophobicContact CE1-CG 4.39Å; Y209-R213 VanDerWaalsContact CE1-CZ 3.44Å; Y209-R213 VanDerWaalsContact CE1-NH1 3.31Å; Y209-R213 HydrophobicContact CE2-CG 4.09Å; Y209-R213 WeakPolarHBondContact O-CG 3.27Å; Y209-R213 PolarHBondContact O-N 2.93Å; Y209-R213 PolarHBondContact OH-NH1 3.21Å |
| 210 | G | 67.2 | Low | 74.9 | Confident | 36 Ų | 36 | 110.7 Ų | 110.7 | 37% | 0.371 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N207 L208 R213 Q214 | N207-G210 PolarHBondContact O-N 3.3Å; L208-G210 PolarHBondContact O-N 3.36Å; G210-R213 PolarHBondContact O-N 3.16Å; G210-Q214 VanDerWaalsContact O-CG 3.32Å; G210-Q214 WeakPolarHBondContact O-CG 3.42Å; G210-Q214 PolarHBondContact O-N 3.32Å |
| 211 | R | 66.6 | Low | 75.3 | Confident | 135 Ų | 135 | 107.5 Ų | 107.5 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 176.7 | -72.2 | -173.8 | -88 | -167.6 | -7 | 112.2 | L208 Q214 L215 | L208-R211 PolarHBondContact O-N 3.43Å; R211-Q214 WeakPolarHBondContact O-CB 3.34Å; R211-Q214 PolarHBondContact O-N 3.27Å; R211-L215 PolarHBondContact O-N 2.91Å |
| 212 | F | 65.8 | Low | 75.6 | Confident | 131 Ų | 131 | 105.2 Ų | 105.2 | 58% | 0.575 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.1 | -39.3 | 174.8 | -74.4 | -62 | 0 | 0 | 0 | 112.8 | L208 Y209 L215 E216 | L208-F212 HydrophobicContact CB-CD2 4.07Å; L208-F212 HydrophobicContact CB-CE2 3.91Å; L208-F212 WeakPolarHBondContact O-CD2 3.42Å; L208-F212 PolarHBondContact O-N 3.16Å; Y209-F212 PolarHBondContact O-N 3.01Å; F212-L215 HydrophobicContact CD1-CD1 4.35Å; F212-L215 WeakPolarHBondContact O-CB 3.35Å; F212-L215 PolarHBondContact O-N 3.42Å; F212-E216 WeakPolarHBondContact O-CB 3.37Å; F212-E216 PolarHBondContact O-N 2.92Å |
| 213 | R | 73.3 | Confident | 76.1 | Confident | 124 Ų | 124 | 105.3 Ų | 105.3 | 47% | 0.468 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.2 | -32.8 | 172.2 | -70.4 | -152.5 | -61.4 | -152.9 | 7.7 | 113.1 | Y209 G210 L215 E216 I217 | Y209-R213 HydrophobicContact CD2-CG 4.45Å; Y209-R213 HydrophobicContact CE1-CG 4.39Å; Y209-R213 VanDerWaalsContact CE1-CZ 3.44Å; Y209-R213 VanDerWaalsContact CE1-NH1 3.31Å; Y209-R213 HydrophobicContact CE2-CG 4.09Å; Y209-R213 WeakPolarHBondContact O-CG 3.27Å; Y209-R213 PolarHBondContact O-N 2.93Å; Y209-R213 PolarHBondContact OH-NH1 3.21Å; G210-R213 PolarHBondContact O-N 3.16Å; R213-L215 VanDerWaalsContact C-N 3.34Å; R213-E216 PolarHBondContact O-N 2.92Å; R213-I217 WeakPolarHBondContact O-CB 3.45Å; R213-I217 WeakPolarHBondContact O-CD1 3.38Å; R213-I217 WeakPolarHBondContact O-CG1 3.23Å; R213-I217 PolarHBondContact O-N 3.42Å |
| 214 | Q | 77.3 | Confident | 76.5 | Confident | 134 Ų | 134 | 101.4 Ų | 101.4 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 170.6 | -73.7 | 166.8 | -18.9 | 0 | 0 | 111.7 | G210 R211 L218 | G210-Q214 VanDerWaalsContact O-CG 3.32Å; G210-Q214 WeakPolarHBondContact O-CG 3.42Å; G210-Q214 PolarHBondContact O-N 3.32Å; R211-Q214 WeakPolarHBondContact O-CB 3.34Å; R211-Q214 PolarHBondContact O-N 3.27Å; Q214-L218 VanDerWaalsContact O-CB 3.3Å; Q214-L218 WeakPolarHBondContact O-CB 3.38Å; Q214-L218 PolarHBondContact O-N 2.83Å |
| 215 | L | 81.8 | Confident | 76.7 | Confident | 105 Ų | 105 | 99.9 Ų | 99.9 | 55% | 0.55 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 173.6 | -83.9 | 158.3 | 0 | 0 | 0 | 113 | R211 F212 R213 L218 D219 | R211-L215 PolarHBondContact O-N 2.91Å; F212-L215 HydrophobicContact CD1-CD1 4.35Å; F212-L215 WeakPolarHBondContact O-CB 3.35Å; F212-L215 PolarHBondContact O-N 3.42Å; R213-L215 VanDerWaalsContact C-N 3.34Å; L215-L218 PolarHBondContact O-N 3.37Å; L215-D219 PolarHBondContact O-N 2.96Å |
| 216 | E | 81.8 | Confident | 77.3 | Confident | 113 Ų | 113 | 98.3 Ų | 98.3 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 177.1 | -174.7 | 175.6 | -144.6 | 0 | 0 | 112 | F212 R213 D219 H220 | F212-E216 WeakPolarHBondContact O-CB 3.37Å; F212-E216 PolarHBondContact O-N 2.92Å; R213-E216 PolarHBondContact O-N 2.92Å; E216-D219 PolarHBondContact O-N 2.72Å; E216-H220 PolarHBondContact O-N 2.73Å; E216-H220 PolarHBondContact O-ND1 2.68Å |
| 217 | I | 85.4 | Confident | 77.9 | Confident | 111 Ų | 111 | 98 Ų | 98 | 57% | 0.569 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.9 | -42.3 | 172.8 | -68.6 | 164.4 | 0 | 0 | 0 | 110.7 | R213 H220 V221 | R213-I217 WeakPolarHBondContact O-CB 3.45Å; R213-I217 WeakPolarHBondContact O-CD1 3.38Å; R213-I217 WeakPolarHBondContact O-CG1 3.23Å; R213-I217 PolarHBondContact O-N 3.42Å; I217-H220 PolarHBondContact O-N 2.73Å; I217-V221 WeakPolarHBondContact O-CB 3.44Å; I217-V221 VanDerWaalsContact O-CG2 3.3Å; I217-V221 WeakPolarHBondContact O-CG2 3.06Å; I217-V221 PolarHBondContact O-N 2.8Å |
| 218 | L | 88.6 | Confident | 78.4 | Confident | 101 Ų | 101 | 97.4 Ų | 97.4 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 178.8 | -176.8 | 61.5 | 0 | 0 | 0 | 112.4 | Q214 L215 T222 | Q214-L218 VanDerWaalsContact O-CB 3.3Å; Q214-L218 WeakPolarHBondContact O-CB 3.38Å; Q214-L218 PolarHBondContact O-N 2.83Å; L215-L218 PolarHBondContact O-N 3.37Å; L218-T222 VanDerWaalsContact O-CB 3.27Å; L218-T222 WeakPolarHBondContact O-CB 3.27Å; L218-T222 PolarHBondContact O-N 2.91Å; L218-T222 PolarHBondContact O-OG1 2.78Å |
| 219 | D | 87.1 | Confident | 78.7 | Confident | 77 Ų | 77 | 100 Ų | 100 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.8 | -53.3 | 170.2 | 166.5 | 88.4 | 0 | 0 | 0 | 110.7 | L215 E216 V221 T222 N223 | L215-D219 PolarHBondContact O-N 2.96Å; E216-D219 PolarHBondContact O-N 2.72Å; D219-V221 VanDerWaalsContact C-N 3.29Å; D219-V221 PolarHBondContact O-N 3.18Å; D219-T222 CarbonylContact O-C 3.58Å; D219-T222 PolarHBondContact O-N 3.22Å; D219-N223 WeakPolarHBondContact O-CB 3.49Å; D219-N223 PolarHBondContact O-N 2.94Å; D219-N223 PolarHBondContact O-ND2 3.17Å; D219-N223 PolarHBondContact OD1-ND2 3.5Å; D219-N223 PolarHBondContact OD2-ND2 2.94Å |
| 220 | H | 84.2 | Confident | 78.8 | Confident | 124 Ų | 124 | 96.3 Ų | 96.3 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.1 | -38.4 | -177.7 | -79.4 | 22.5 | 0 | 0 | 0 | 112.4 | E216 I217 A224 | E216-H220 PolarHBondContact O-N 2.73Å; E216-H220 PolarHBondContact O-ND1 2.68Å; I217-H220 PolarHBondContact O-N 2.73Å; H220-A224 WeakPolarHBondContact O-CB 3.46Å; H220-A224 PolarHBondContact O-N 2.91Å |
| 221 | V | 90.1 | Very high | 78.5 | Confident | 66 Ų | 66 | 100 Ų | 100 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 172.9 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | I217 D219 A224 F225 | I217-V221 WeakPolarHBondContact O-CB 3.44Å; I217-V221 VanDerWaalsContact O-CG2 3.3Å; I217-V221 WeakPolarHBondContact O-CG2 3.06Å; I217-V221 PolarHBondContact O-N 2.8Å; D219-V221 VanDerWaalsContact C-N 3.29Å; D219-V221 PolarHBondContact O-N 3.18Å; V221-A224 PolarHBondContact O-N 3.1Å; V221-F225 HydrophobicContact CG1-CD2 3.66Å; V221-F225 HydrophobicContact CG1-CE2 3.5Å; V221-F225 VanDerWaalsContact O-CD2 3.22Å; V221-F225 WeakPolarHBondContact O-CD2 3.41Å; V221-F225 PolarHBondContact O-N 3.42Å |
| 222 | T | 85.3 | Confident | 78.4 | Confident | 68 Ų | 68 | 98.3 Ų | 98.3 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 179.6 | -57.6 | 0 | 0 | 0 | 0 | 112 | L218 D219 F225 S226 | L218-T222 VanDerWaalsContact O-CB 3.27Å; L218-T222 WeakPolarHBondContact O-CB 3.27Å; L218-T222 PolarHBondContact O-N 2.91Å; L218-T222 PolarHBondContact O-OG1 2.78Å; D219-T222 CarbonylContact O-C 3.58Å; D219-T222 PolarHBondContact O-N 3.22Å; T222-F225 PolarHBondContact O-N 3.29Å; T222-S226 WeakPolarHBondContact O-CB 3.05Å; T222-S226 PolarHBondContact O-N 3.4Å; T222-S226 PolarHBondContact O-OG 3.06Å |
| 223 | N | 85.1 | Confident | 77.9 | Confident | 87 Ų | 87 | 95.1 Ų | 95.1 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69 | -38.1 | 175.2 | -75.6 | -40.9 | 0 | 0 | 0 | 111.7 | D219 S226 S227 | D219-N223 WeakPolarHBondContact O-CB 3.49Å; D219-N223 PolarHBondContact O-N 2.94Å; D219-N223 PolarHBondContact O-ND2 3.17Å; D219-N223 PolarHBondContact OD1-ND2 3.5Å; D219-N223 PolarHBondContact OD2-ND2 2.94Å; N223-S226 PolarHBondContact O-N 3.45Å; N223-S227 PolarHBondContact O-N 3.25Å |
| 224 | A | 82.6 | Confident | 77.1 | Confident | 54 Ų | 54 | 93.3 Ų | 93.3 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | H220 V221 S227 L228 | H220-A224 WeakPolarHBondContact O-CB 3.46Å; H220-A224 PolarHBondContact O-N 2.91Å; V221-A224 PolarHBondContact O-N 3.1Å; A224-S227 PolarHBondContact O-N 3.5Å; A224-L228 WeakPolarHBondContact O-CG 3.32Å; A224-L228 PolarHBondContact O-N 3.31Å |
| 225 | F | 82.5 | Confident | 76 | Confident | 134 Ų | 134 | 93.4 Ų | 93.4 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.8 | -38.9 | 173.5 | -80.1 | -59.1 | 0 | 0 | 0 | 112.5 | V221 T222 L228 L229 | V221-F225 HydrophobicContact CG1-CD2 3.66Å; V221-F225 HydrophobicContact CG1-CE2 3.5Å; V221-F225 VanDerWaalsContact O-CD2 3.22Å; V221-F225 WeakPolarHBondContact O-CD2 3.41Å; V221-F225 PolarHBondContact O-N 3.42Å; T222-F225 PolarHBondContact O-N 3.29Å; F225-L228 HydrophobicContact CD1-CD1 4.39Å; F225-L228 PolarHBondContact O-N 2.96Å; F225-L229 WeakPolarHBondContact O-CB 3.41Å; F225-L229 PolarHBondContact O-N 3.11Å |
| 226 | S | 78.6 | Confident | 74.5 | Confident | 66 Ų | 66 | 92.3 Ų | 92.3 | 46% | 0.462 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 176.5 | -60.3 | 0 | 0 | 0 | 0 | 112 | T222 N223 L229 S230 | T222-S226 WeakPolarHBondContact O-CB 3.05Å; T222-S226 PolarHBondContact O-N 3.4Å; T222-S226 PolarHBondContact O-OG 3.06Å; N223-S226 PolarHBondContact O-N 3.45Å; S226-L229 PolarHBondContact O-N 3.49Å; S226-S230 WeakPolarHBondContact O-CB 3.49Å; S226-S230 PolarHBondContact O-N 2.93Å; S226-S230 PolarHBondContact O-OG 3.33Å |
| 227 | S | 78.7 | Confident | 73.1 | Confident | 67 Ų | 67 | 93 Ų | 93 | 47% | 0.469 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 171.7 | -169.2 | 0 | 0 | 0 | 0 | 111.4 | N223 A224 S230 D231 | N223-S227 PolarHBondContact O-N 3.25Å; A224-S227 PolarHBondContact O-N 3.5Å; S227-S230 PolarHBondContact O-N 2.93Å; S227-S230 PolarHBondContact O-OG 3.3Å; S227-D231 PolarHBondContact O-N 3.45Å |
| 228 | L | 76.1 | Confident | 71.5 | Confident | 103 Ų | 103 | 97.7 Ų | 97.7 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 176.7 | -75 | 163.3 | 0 | 0 | 0 | 112.4 | A224 F225 S230 D231 V232 | A224-L228 WeakPolarHBondContact O-CG 3.32Å; A224-L228 PolarHBondContact O-N 3.31Å; F225-L228 HydrophobicContact CD1-CD1 4.39Å; F225-L228 PolarHBondContact O-N 2.96Å; L228-S230 VanDerWaalsContact C-N 3.33Å; L228-S230 PolarHBondContact O-N 3.1Å; L228-D231 PolarHBondContact O-N 2.92Å; L228-V232 VanDerWaalsContact O-CG2 3.31Å; L228-V232 WeakPolarHBondContact O-CG2 3.34Å; L228-V232 PolarHBondContact O-N 3.27Å |
| 229 | L | 70.4 | Confident | 69.7 | Low | 135 Ų | 135 | 96.9 Ų | 96.9 | 71% | 0.707 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.2 | -35.9 | 177.8 | -135.4 | 79.2 | 0 | 0 | 0 | 111.8 | F225 S226 V232 S233 | F225-L229 WeakPolarHBondContact O-CB 3.41Å; F225-L229 PolarHBondContact O-N 3.11Å; S226-L229 PolarHBondContact O-N 3.49Å; L229-V232 PolarHBondContact O-N 3.04Å; L229-S233 WeakPolarHBondContact O-CB 3.49Å; L229-S233 PolarHBondContact O-N 3.37Å; L229-S233 PolarHBondContact O-OG 2.95Å |
| 230 | S | 65.3 | Low | 68 | Low | 52 Ų | 52 | 101.7 Ų | 101.7 | 36% | 0.364 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72.5 | -41 | 176.4 | 70.6 | 0 | 0 | 0 | 0 | 113.1 | S226 S227 L228 V232 S233 I234 | S226-S230 WeakPolarHBondContact O-CB 3.49Å; S226-S230 PolarHBondContact O-N 2.93Å; S226-S230 PolarHBondContact O-OG 3.33Å; S227-S230 PolarHBondContact O-N 2.93Å; S227-S230 PolarHBondContact O-OG 3.3Å; L228-S230 VanDerWaalsContact C-N 3.33Å; L228-S230 PolarHBondContact O-N 3.1Å; S230-V232 VanDerWaalsContact C-N 3.25Å; S230-V232 PolarHBondContact O-N 3.25Å; S230-S233 PolarHBondContact O-N 3.31Å; S230-S233 PolarHBondContact O-OG 2.93Å; S230-I234 WeakPolarHBondContact O-CD1 3.36Å; S230-I234 VanDerWaalsContact O-CG1 3.23Å; S230-I234 WeakPolarHBondContact O-CG1 3.34Å; S230-I234 PolarHBondContact O-N 3.49Å |
| 231 | D | 62.4 | Low | 66.4 | Low | 113 Ų | 113 | 104 Ų | 104 | 60% | 0.604 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.7 | -37.8 | 171.6 | -96.6 | -13.7 | 0 | 0 | 0 | 111.3 | S227 L228 | S227-D231 PolarHBondContact O-N 3.45Å; L228-D231 PolarHBondContact O-N 2.92Å |
| 232 | V | 63.6 | Low | 64.3 | Low | 99 Ų | 99 | 110.4 Ų | 110.4 | 60% | 0.6 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.8 | -40.8 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 112 | L228 L229 S230 I234 L235 P236 | L228-V232 VanDerWaalsContact O-CG2 3.31Å; L228-V232 WeakPolarHBondContact O-CG2 3.34Å; L228-V232 PolarHBondContact O-N 3.27Å; L229-V232 PolarHBondContact O-N 3.04Å; S230-V232 VanDerWaalsContact C-N 3.25Å; S230-V232 PolarHBondContact O-N 3.25Å; V232-I234 VanDerWaalsContact C-N 3.29Å; V232-I234 PolarHBondContact O-N 2.84Å; V232-L235 WeakPolarHBondContact O-CB 3.43Å; V232-L235 PolarHBondContact O-N 3.45Å; V232-L235 VanDerWaalsContact O-N 3.13Å; V232-P236 WeakPolarHBondContact O-CD 3.39Å |
| 233 | S | 56.3 | Low | 62.5 | Low | 65 Ų | 65 | 112.3 Ų | 112.3 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.9 | -16.9 | -179.7 | 74.1 | 0 | 0 | 0 | 0 | 114.1 | L229 S230 L235 N237 | L229-S233 WeakPolarHBondContact O-CB 3.49Å; L229-S233 PolarHBondContact O-N 3.37Å; L229-S233 PolarHBondContact O-OG 2.95Å; S230-S233 PolarHBondContact O-N 3.31Å; S230-S233 PolarHBondContact O-OG 2.93Å; S233-L235 VanDerWaalsContact C-N 3.31Å; S233-N237 PolarHBondContact O-ND2 2.97Å |
| 234 | I | 55.5 | Low | 60.3 | Low | 85 Ų | 85 | 112 Ų | 112 | 44% | 0.436 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.6 | -18.8 | 169.9 | -70.3 | 164.7 | 0 | 0 | 0 | 112 | S230 V232 | S230-I234 WeakPolarHBondContact O-CD1 3.36Å; S230-I234 VanDerWaalsContact O-CG1 3.23Å; S230-I234 WeakPolarHBondContact O-CG1 3.34Å; S230-I234 PolarHBondContact O-N 3.49Å; V232-I234 VanDerWaalsContact C-N 3.29Å; V232-I234 PolarHBondContact O-N 2.84Å |
| 235 | L | 55 | Low | 57.9 | Low | 136 Ų | 136 | 113.5 Ų | 113.5 | 71% | 0.712 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -44 | -175.7 | -165.2 | 68 | 0 | 0 | 0 | 114.4 | V232 S233 | V232-L235 WeakPolarHBondContact O-CB 3.43Å; V232-L235 PolarHBondContact O-N 3.45Å; V232-L235 VanDerWaalsContact O-N 3.13Å; S233-L235 VanDerWaalsContact C-N 3.31Å |
| 236 | P | 50.8 | Low | 56 | Low | 83 Ų | 83 | 116.3 Ų | 116.3 | 54% | 0.539 | 67% | 0.67 | S | S | . | * | G | 310 helix | trans | -61.1 | -44.9 | 173.2 | -23.8 | 33.2 | 0 | 0 | 0 | 112.6 | V232 R238 A239 | V232-P236 WeakPolarHBondContact O-CD 3.39Å; P236-R238 PolarHBondContact O-N 2.85Å; P236-A239 WeakPolarHBondContact O-CB 3.4Å; P236-A239 PolarHBondContact O-N 2.93Å |
| 237 | N | 51.2 | Low | 53.8 | Low | 128 Ų | 128 | 118.6 Ų | 118.6 | 68% | 0.684 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -71.7 | 6.5 | -172.4 | -65.6 | -47.6 | 0 | 0 | 0 | 114.5 | S233 | S233-N237 PolarHBondContact O-ND2 2.97Š|
| 238 | R | 52.1 | Low | 51.8 | Low | 209 Ų | 209 | 121.6 Ų | 121.6 | 79% | 0.789 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -115.6 | 8.5 | 171.8 | -70.2 | -177.3 | 176.3 | -107.9 | -0.6 | 113.5 | P236 | P236-R238 PolarHBondContact O-N 2.85Š|
| 239 | A | 50.7 | Low | 50.1 | Low | 84 Ų | 84 | 123.5 Ų | 123.5 | 69% | 0.694 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -90.6 | -30.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | P236 | P236-A239 WeakPolarHBondContact O-CB 3.4Å; P236-A239 PolarHBondContact O-N 2.93Å |
| 240 | E | 51 | Low | 48.6 | Very low | 178 Ų | 178 | 126.9 Ų | 126.9 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -89.5 | -33.2 | -173.2 | -62 | -167.9 | 128.2 | 0 | 0 | 113.8 | K242 | E240-K242 VanDerWaalsContact C-N 3.33Å; E240-K242 PolarHBondContact O-N 2.85Å |
| 241 | E | 51.6 | Low | 47.4 | Very low | 171 Ų | 171 | 131 Ų | 131 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -83.2 | 66.4 | -178.7 | -163.8 | -164.1 | -141.5 | 0 | 0 | 112.9 | ||
| 242 | K | 46.3 | Very low | 46.2 | Very low | 202 Ų | 202 | 130.1 Ų | 130.1 | 88% | 0.878 | 74% | 0.736 | S | S | * | * | trans | -168.4 | 66.7 | 147.4 | -82 | -136.4 | -178.9 | -74.3 | 0 | 112.8 | E240 | E240-K242 VanDerWaalsContact C-N 3.33Å; E240-K242 PolarHBondContact O-N 2.85Å | ||
| 243 | A | 46.6 | Very low | 45.4 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | -97.2 | 108.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 244 | G | 38.5 | Very low | 45.2 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | 159.5 | 109.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 245 | G | 32.3 | Very low | 44.8 | Very low | 84 Ų | 84 | 131.4 Ų | 131.4 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | trans | 105 | 115.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 246 | E | 42.1 | Very low | 44.6 | Very low | 194 Ų | 194 | 128.9 Ų | 128.9 | 91% | 0.907 | 75% | 0.754 | S | S | * | * | trans | -83.3 | 140.9 | 176.4 | -58.4 | 176 | 106.3 | 0 | 0 | 112.1 | ||||
| 247 | S | 33.3 | Very low | 44.6 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | -179 | 126 | 129 | 34.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 248 | V | 37.4 | Very low | 44.7 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 78% | 0.782 | 75% | 0.747 | S | S | * | * | trans | 50.4 | 104.8 | 132.9 | -170.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 249 | Q | 38.9 | Very low | 44.9 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | trans | 68 | 124 | 146.2 | -68.6 | -171.5 | 15.8 | 0 | 0 | 122.8 | ||||
| 250 | R | 39.4 | Very low | 45.2 | Very low | 207 Ų | 207 | 131.8 Ų | 131.8 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | trans | 65.5 | 105.8 | 141.6 | -64.8 | 170.7 | 172.2 | 147.7 | -11.1 | 119 | ||||
| 251 | T | 40.8 | Very low | 45.7 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | 151 | 108.1 | 113.1 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 252 | S | 37.6 | Very low | 46.1 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | trans | -154.3 | 30.7 | 175.6 | 58.7 | 0 | 0 | 0 | 0 | 116.2 | S254 | S252-S254 PolarHBondContact O-N 2.98Š| ||
| 253 | V | 46.1 | Very low | 46.3 | Very low | 129 Ų | 129 | 126 Ų | 126 | 78% | 0.782 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 9.1 | 173.3 | -172.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 254 | S | 51.3 | Low | 47 | Very low | 76 Ų | 76 | 122.7 Ų | 122.7 | 53% | 0.531 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.2 | -42.3 | -178.3 | 45.4 | 0 | 0 | 0 | 0 | 113.9 | S252 A256 K257 E258 | S252-S254 PolarHBondContact O-N 2.98Å; S254-A256 PolarHBondContact O-N 2.74Å; S254-K257 CarbonylContact O-C 3.55Å; S254-K257 WeakPolarHBondContact O-CA 3.21Å; S254-K257 WeakPolarHBondContact O-CB 3.48Å; S254-K257 PolarHBondContact O-N 2.9Å; S254-K257 VanDerWaalsContact O-N 3.09Å; S254-E258 PolarHBondContact O-N 3.39Å |
| 255 | A | 48.7 | Very low | 48 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 59% | 0.587 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -57.3 | -56.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K257 E258 H259 | A255-K257 VanDerWaalsContact C-N 3.28Å; A255-K257 PolarHBondContact O-N 3.15Å; A255-E258 PolarHBondContact O-N 3Å; A255-E258 VanDerWaalsContact O-N 3.15Å; A255-H259 PolarHBondContact O-N 3.41Å |
| 256 | A | 49.1 | Very low | 49.1 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 69% | 0.686 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.5 | -32.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S254 R260 | S254-A256 PolarHBondContact O-N 2.74Å; A256-R260 PolarHBondContact O-N 3.29Å; A256-R260 VanDerWaalsContact O-N 3.14Å |
| 257 | K | 52.2 | Low | 49.7 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 64% | 0.635 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.7 | -32.5 | 176.4 | -117.5 | 173.1 | -176.2 | 170.9 | 0 | 112 | S254 A255 R261 | S254-K257 CarbonylContact O-C 3.55Å; S254-K257 WeakPolarHBondContact O-CA 3.21Å; S254-K257 WeakPolarHBondContact O-CB 3.48Å; S254-K257 PolarHBondContact O-N 2.9Å; S254-K257 VanDerWaalsContact O-N 3.09Å; A255-K257 VanDerWaalsContact C-N 3.28Å; A255-K257 PolarHBondContact O-N 3.15Å; K257-R261 WeakPolarHBondContact O-CB 3.32Å; K257-R261 WeakPolarHBondContact O-CG 3.48Å; K257-R261 PolarHBondContact O-N 3.09Å; K257-R261 VanDerWaalsContact O-N 3.16Å |
| 258 | E | 53.2 | Low | 50.6 | Low | 92 Ų | 92 | 127.1 Ų | 127.1 | 43% | 0.43 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -76 | -42.5 | 175.1 | -169.7 | 168.7 | 155.3 | 0 | 0 | 112 | S254 A255 R260 R261 R262 | S254-E258 PolarHBondContact O-N 3.39Å; A255-E258 PolarHBondContact O-N 3Å; A255-E258 VanDerWaalsContact O-N 3.15Å; E258-R260 VanDerWaalsContact C-N 3.31Å; E258-R260 PolarHBondContact O-N 3.37Å; E258-R261 CarbonylContact O-C 3.42Å; E258-R261 WeakPolarHBondContact O-CA 3.11Å; E258-R261 WeakPolarHBondContact O-CB 3.32Å; E258-R261 PolarHBondContact O-N 3.06Å; E258-R262 HydrophobicContact CG-CG 4.28Å; E258-R262 WeakPolarHBondContact O-CG 3.39Å; E258-R262 PolarHBondContact O-N 3.03Å; E258-R262 IonicContact OE1-CZ 3.24Å; E258-R262 VanDerWaalsContact OE1-CZ 3.24Å; E258-R262 IonicContact OE1-NE 2.95Å; E258-R262 PolarHBondContact OE1-NE 3.13Å; E258-R262 IonicContact OE1-NH2 2.69Å; E258-R262 PolarHBondContact OE1-NH2 2.91Å |
| 259 | H | 55.4 | Low | 51.2 | Low | 115 Ų | 115 | 130.1 Ų | 130.1 | 53% | 0.532 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -55.8 | -46.5 | 173.8 | -174.2 | 34 | 0 | 0 | 0 | 111.3 | A255 R261 R262 M263 | A255-H259 PolarHBondContact O-N 3.41Å; H259-R261 VanDerWaalsContact C-N 3.29Å; H259-R261 PolarHBondContact O-N 3.02Å; H259-R262 PolarHBondContact O-N 2.91Å; H259-M263 WeakPolarHBondContact CE1-CE 3.26Å; H259-M263 VanDerWaalsContact CE1-SD 3.51Å; H259-M263 WeakPolarHBondContact NE2-CE 3.29Å; H259-M263 PolarHBondContact O-N 3.22Å |
| 260 | R | 58.6 | Low | 51.5 | Low | 211 Ų | 211 | 126.5 Ų | 126.5 | 80% | 0.796 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.1 | -33.9 | 173.6 | -156.7 | 175.7 | -165.4 | -178.4 | 5.5 | 113.1 | A256 E258 G264 | A256-R260 PolarHBondContact O-N 3.29Å; A256-R260 VanDerWaalsContact O-N 3.14Å; E258-R260 VanDerWaalsContact C-N 3.31Å; E258-R260 PolarHBondContact O-N 3.37Å; R260-G264 PolarHBondContact O-N 3.42Å |
| 261 | R | 59.5 | Low | 51.8 | Low | 189 Ų | 189 | 120.8 Ų | 120.8 | 71% | 0.713 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76 | -24.9 | 173.2 | -80 | 178.9 | 167.3 | -165.6 | -3.5 | 113.9 | K257 E258 H259 K265 | K257-R261 WeakPolarHBondContact O-CB 3.32Å; K257-R261 WeakPolarHBondContact O-CG 3.48Å; K257-R261 PolarHBondContact O-N 3.09Å; K257-R261 VanDerWaalsContact O-N 3.16Å; E258-R261 CarbonylContact O-C 3.42Å; E258-R261 WeakPolarHBondContact O-CA 3.11Å; E258-R261 WeakPolarHBondContact O-CB 3.32Å; E258-R261 PolarHBondContact O-N 3.06Å; H259-R261 VanDerWaalsContact C-N 3.29Å; H259-R261 PolarHBondContact O-N 3.02Å; R261-K265 VanDerWaalsContact O-CG 3.25Å; R261-K265 WeakPolarHBondContact O-CG 3.39Å; R261-K265 PolarHBondContact O-N 3.31Å |
| 262 | R | 60.3 | Low | 52.1 | Low | 152 Ų | 152 | 121 Ų | 121 | 57% | 0.574 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -77.6 | -48.4 | 173.2 | -69 | -179.2 | -172.3 | -169.6 | 5.5 | 110.4 | E258 H259 G264 K265 L266 | E258-R262 HydrophobicContact CG-CG 4.28Å; E258-R262 WeakPolarHBondContact O-CG 3.39Å; E258-R262 PolarHBondContact O-N 3.03Å; E258-R262 IonicContact OE1-CZ 3.24Å; E258-R262 VanDerWaalsContact OE1-CZ 3.24Å; E258-R262 IonicContact OE1-NE 2.95Å; E258-R262 PolarHBondContact OE1-NE 3.13Å; E258-R262 IonicContact OE1-NH2 2.69Å; E258-R262 PolarHBondContact OE1-NH2 2.91Å; H259-R262 PolarHBondContact O-N 2.91Å; R262-G264 VanDerWaalsContact C-N 3.34Å; R262-G264 PolarHBondContact O-N 3.29Å; R262-K265 WeakPolarHBondContact O-CA 3.24Å; R262-K265 WeakPolarHBondContact O-CB 3.37Å; R262-K265 PolarHBondContact O-N 3.28Å; R262-L266 PolarHBondContact O-N 3.31Å |
| 263 | M | 51.5 | Low | 52.6 | Low | 90 Ų | 90 | 124.9 Ų | 124.9 | 44% | 0.443 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -55.8 | -48 | 170.9 | -118.2 | 89.5 | 98.7 | 0 | 0 | 111.6 | H259 K265 L266 L267 | H259-M263 WeakPolarHBondContact CE1-CE 3.26Å; H259-M263 VanDerWaalsContact CE1-SD 3.51Å; H259-M263 WeakPolarHBondContact NE2-CE 3.29Å; H259-M263 PolarHBondContact O-N 3.22Å; M263-K265 PolarHBondContact O-N 2.86Å; M263-K265 VanDerWaalsContact O-N 3.12Å; M263-L266 PolarHBondContact O-N 2.89Å; M263-L266 VanDerWaalsContact O-N 3.09Å; M263-L267 PolarHBondContact O-N 3.39Å |
| 264 | G | 60.5 | Low | 52.4 | Low | 38 Ų | 38 | 125.9 Ų | 125.9 | 39% | 0.392 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.3 | -8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | R260 R262 R268 | R260-G264 PolarHBondContact O-N 3.42Å; R262-G264 VanDerWaalsContact C-N 3.34Å; R262-G264 PolarHBondContact O-N 3.29Å; G264-R268 WeakPolarHBondContact O-CB 3.29Å |
| 265 | K | 59.6 | Low | 51.9 | Low | 154 Ų | 154 | 129.4 Ų | 129.4 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -97.2 | -31.5 | 168.8 | -80.7 | 174.4 | 177.6 | -175.2 | 0 | 112.5 | R261 R262 M263 R268 R269 | R261-K265 VanDerWaalsContact O-CG 3.25Å; R261-K265 WeakPolarHBondContact O-CG 3.39Å; R261-K265 PolarHBondContact O-N 3.31Å; R262-K265 WeakPolarHBondContact O-CA 3.24Å; R262-K265 WeakPolarHBondContact O-CB 3.37Å; R262-K265 PolarHBondContact O-N 3.28Å; M263-K265 PolarHBondContact O-N 2.86Å; M263-K265 VanDerWaalsContact O-N 3.12Å; K265-R268 CarbonylContact O-C 3.58Å; K265-R269 PolarHBondContact O-N 2.98Å; K265-R269 VanDerWaalsContact O-N 3.07Å |
| 266 | L | 55.6 | Low | 51.1 | Low | 116 Ų | 116 | 135.5 Ų | 135.5 | 61% | 0.607 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.5 | -53.1 | 173.4 | -83.4 | 160.3 | 0 | 0 | 0 | 111.3 | R262 M263 R268 R269 A270 | R262-L266 PolarHBondContact O-N 3.31Å; M263-L266 PolarHBondContact O-N 2.89Å; M263-L266 VanDerWaalsContact O-N 3.09Å; L266-R268 PolarHBondContact O-N 3.47Å; L266-R269 WeakPolarHBondContact O-CA 3.49Å; L266-R269 WeakPolarHBondContact O-CB 3.33Å; L266-R269 PolarHBondContact O-N 3.04Å; L266-A270 PolarHBondContact O-N 3.25Å |
| 267 | L | 55.3 | Low | 50.2 | Low | 122 Ų | 122 | 140.6 Ų | 140.6 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -58.4 | -37.1 | 175.1 | -67.7 | 168.7 | 0 | 0 | 0 | 111.4 | M263 R269 S271 | M263-L267 PolarHBondContact O-N 3.39Å; L267-R269 VanDerWaalsContact C-N 3.28Å; L267-R269 PolarHBondContact O-N 2.6Å; L267-S271 WeakPolarHBondContact O-CB 3.48Å; L267-S271 PolarHBondContact O-N 3.43Å |
| 268 | R | 51.1 | Low | 49.1 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 66% | 0.657 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -81.2 | 1.2 | 175.7 | -152.7 | 178.9 | -157.5 | -141.6 | 5.4 | 114.5 | G264 K265 L266 K272 | G264-R268 WeakPolarHBondContact O-CB 3.29Å; K265-R268 CarbonylContact O-C 3.58Å; L266-R268 PolarHBondContact O-N 3.47Å; R268-K272 WeakPolarHBondContact O-CB 3.24Å; R268-K272 WeakPolarHBondContact O-CG 3.44Å |
| 269 | R | 51.5 | Low | 47.8 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 72% | 0.721 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -92.9 | -51.5 | 163.2 | -90.3 | 179.5 | 164.7 | 174.7 | -6.7 | 109.9 | K265 L266 L267 S271 K272 Q273 | K265-R269 PolarHBondContact O-N 2.98Å; K265-R269 VanDerWaalsContact O-N 3.07Å; L266-R269 WeakPolarHBondContact O-CA 3.49Å; L266-R269 WeakPolarHBondContact O-CB 3.33Å; L266-R269 PolarHBondContact O-N 3.04Å; L267-R269 VanDerWaalsContact C-N 3.28Å; L267-R269 PolarHBondContact O-N 2.6Å; R269-S271 PolarHBondContact O-N 3.1Å; R269-K272 PolarHBondContact O-N 3.47Å; R269-Q273 PolarHBondContact O-N 3.23Å |
| 270 | A | 45 | Very low | 46.8 | Very low | 67 Ų | 67 | 143.9 Ų | 143.9 | 55% | 0.554 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -56.2 | -52.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L266 K272 Q273 | L266-A270 PolarHBondContact O-N 3.25Å; A270-K272 PolarHBondContact O-N 2.81Å; A270-Q273 PolarHBondContact O-N 3.32Å |
| 271 | S | 45.8 | Very low | 45.7 | Very low | 88 Ų | 88 | 139 Ų | 139 | 62% | 0.615 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -13.3 | 175.6 | 166.6 | 0 | 0 | 0 | 0 | 114.4 | L267 R269 | L267-S271 WeakPolarHBondContact O-CB 3.48Å; L267-S271 PolarHBondContact O-N 3.43Å; R269-S271 PolarHBondContact O-N 3.1Å |
| 272 | K | 46.3 | Very low | 44.1 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 62% | 0.617 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -1.4 | -179.8 | -85.9 | -162.9 | 167.5 | -153.9 | 0 | 115.2 | R268 R269 A270 | R268-K272 WeakPolarHBondContact O-CB 3.24Å; R268-K272 WeakPolarHBondContact O-CG 3.44Å; R269-K272 PolarHBondContact O-N 3.47Å; A270-K272 PolarHBondContact O-N 2.81Å |
| 273 | Q | 48.3 | Very low | 42.5 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -14.2 | 173.1 | -72 | -172.4 | -87 | 0 | 0 | 113.6 | R269 A270 | R269-Q273 PolarHBondContact O-N 3.23Å; A270-Q273 PolarHBondContact O-N 3.32Å |
| 274 | N | 40.9 | Very low | 41.7 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -101.8 | 8.2 | -177 | -142.2 | -11.9 | 0 | 0 | 0 | 114.8 | ||
| 275 | I | 42.2 | Very low | 40.1 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -145.3 | 92.4 | 170.4 | -52.5 | 177.8 | 0 | 0 | 0 | 108.9 | ||
| 276 | R | 30.8 | Very low | 38.5 | Very low | 200 Ų | 200 | 143 Ų | 143 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 164.6 | 75.8 | 147.2 | -172.9 | 178.2 | -173.4 | -150.6 | 2.8 | 113.5 | ||
| 277 | R | 29.8 | Very low | 37 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | 165.4 | 120.5 | 121.7 | -95.7 | -178.9 | -162.2 | 91.3 | -15.9 | 112.9 | |||||
| 278 | D | 29.8 | Very low | 35.9 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -76.9 | 174.4 | 134.5 | -61 | -71 | 0 | 0 | 0 | 110.4 | ||||
| 279 | C | 25.4 | Very low | 34.7 | Very low | 114 Ų | 114 | 147 Ų | 147 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 69 | 107.9 | 169.7 | -53.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 280 | N | 34.6 | Very low | 33.7 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | -62.3 | 153.3 | 139.4 | -75.4 | -37.5 | 0 | 0 | 0 | 108.8 | ||||
| 281 | P | 35.8 | Very low | 32.9 | Very low | 108 Ų | 108 | 147.7 Ų | 147.7 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | -145.3 | 163.7 | 90.9 | 38.4 | -22.5 | 0 | 0 | 0 | 116.4 | |||||
| 282 | E | 25.2 | Very low | 32.1 | Very low | 173 Ų | 173 | 151.8 Ų | 151.8 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | trans | 67.6 | 116.4 | 145 | -75.3 | 168.7 | 176.6 | 0 | 0 | 122.9 | ||||
| 283 | V | 28.6 | Very low | 31.2 | Very low | 138 Ų | 138 | 151 Ų | 151 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | 51.4 | 139.6 | 113.3 | -175.9 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 284 | S | 34.2 | Very low | 30 | Very low | 98 Ų | 98 | 151.4 Ų | 151.4 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -54.9 | 150 | 174.2 | -49.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 285 | E | 26.7 | Very low | 29.3 | Very low | 194 Ų | 194 | 150 Ų | 150 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | trans | 61.3 | 142.7 | 157.3 | -65.5 | -170.9 | 113.3 | 0 | 0 | 119.3 | ||||
| 286 | S | 24.6 | Very low | 29 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -84.1 | 118 | 173.9 | 58.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 287 | F | 25.7 | Very low | 28.6 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | -149.8 | 106.4 | 147.5 | -99.2 | -66.2 | 0 | 0 | 0 | 114.5 | ||||
| 288 | K | 30.4 | Very low | 28.3 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | trans | 29.4 | 118.6 | 146.2 | -74.8 | -174.8 | 173.5 | 179.3 | 0 | 121.4 | ||||
| 289 | V | 27.8 | Very low | 28.5 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | 87.2 | 111.7 | 118.4 | 173.8 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 290 | K | 29.6 | Very low | 29.3 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | 106 | 136.4 | 136.1 | -98.1 | -178.3 | 150.8 | -71.1 | 0 | 122.4 | ||||
| 291 | D | 28.7 | Very low | 28.7 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 57% | 0.567 | 77% | 0.772 | S | S | * | * | trans | 77.4 | 108.4 | 144.3 | -57.8 | -20.6 | 0 | 0 | 0 | 123.3 | ||||
| 292 | E | 29 | Very low | 28.3 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | 87.9 | 101.9 | 128.3 | -63.9 | -174.6 | 162.9 | 0 | 0 | 124.1 | |||||
| 293 | V | 27.2 | Very low | 28.1 | Very low | 126 Ų | 126 | 148 Ų | 148 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | 67 | 112.7 | 127.2 | -171.6 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 294 | F | 22.8 | Very low | 27.9 | Very low | 185 Ų | 185 | 145.3 Ų | 145.3 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 4.2 | 131.1 | 145.9 | -65.9 | -94 | 0 | 0 | 0 | 123 | ||||
| 295 | V | 26.1 | Very low | 27.5 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | -4.2 | 149.4 | 126 | -105.8 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 296 | P | 36.2 | Very low | 27.4 | Very low | 109 Ų | 109 | 144 Ų | 144 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | cis | -157.6 | 173.1 | 49.5 | 44.4 | -23.2 | 0 | 0 | 0 | 121.4 | ||||
| 297 | F | 23.1 | Very low | 27.5 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | 84.7 | 158.9 | 137.3 | -113.7 | -115.9 | 0 | 0 | 0 | 124.3 | ||||
| 298 | T | 23.5 | Very low | 27.5 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | 77.5 | 130.2 | 167.5 | 59.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 299 | K | 32.2 | Very low | 27.4 | Very low | 200 Ų | 200 | 136.3 Ų | 136.3 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | trans | -73.2 | 168.1 | 151.5 | -59.7 | 179.9 | 178.4 | 179.6 | 0 | 108.6 | ||||
| 300 | P | 42.5 | Very low | 27.3 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | cis | -144.8 | -154.1 | 20.3 | 42.2 | -19.5 | 0 | 0 | 0 | 114.7 | ||||
| 301 | W | 22.6 | Very low | 27.1 | Very low | 221 Ų | 221 | 133.3 Ų | 133.3 | 84% | 0.837 | 76% | 0.761 | S | S | * | * | trans | 82.6 | 101.1 | 155.2 | -149.1 | -82.6 | 0 | 0 | 0 | 119.7 | ||||
| 302 | D | 26.8 | Very low | 27.2 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | 41.2 | 152 | 121.1 | -137.3 | -17.5 | 0 | 0 | 0 | 123.3 | |||||
| 303 | C | 22.3 | Very low | 27.1 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 68.2 | 155.2 | 164.8 | -69.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 304 | G | 23 | Very low | 27.4 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | 130.8 | 107.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 305 | A | 25.6 | Very low | 27.7 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | -113.7 | -177.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 306 | E | 25 | Very low | 27.9 | Very low | 169 Ų | 169 | 132.2 Ų | 132.2 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | 92.1 | 130.2 | 153.1 | -76.3 | -150.7 | 123.7 | 0 | 0 | 122.6 | ||||
| 307 | L | 27.1 | Very low | 27.3 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | 70.7 | 121 | 147.6 | -59.8 | 163.5 | 0 | 0 | 0 | 118.6 | ||||
| 308 | A | 25.3 | Very low | 27.5 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 72% | 0.719 | 73% | 0.732 | S | S | * | * | cis | 83.3 | 151.2 | 45.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 309 | A | 28.6 | Very low | 27.6 | Very low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | cis | -172.8 | 175.6 | -18.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 310 | T | 26.2 | Very low | 27.3 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | trans | -176.9 | 152 | 149 | 14.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 311 | S | 25.2 | Very low | 26.3 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | cis | -148.5 | 113.3 | -4.7 | 173.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 312 | I | 30.1 | Very low | 26.3 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 67% | 0.667 | 71% | 0.711 | S | S | * | * | 56 | 118.6 | 93.4 | -48.7 | 156.7 | 0 | 0 | 0 | 115.4 | |||||
| 313 | N | 28.4 | Very low | 26.3 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | 159.6 | 141.1 | 127.3 | -90.2 | -68.8 | 0 | 0 | 0 | 111.8 | |||||
| 314 | H | 32.2 | Very low | 26.4 | Very low | 149 Ų | 149 | 122.9 Ų | 122.9 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | cis | -168.1 | 174.5 | -15.4 | -155.2 | 17.7 | 0 | 0 | 0 | 112.4 | ||||
| 315 | K | 29.2 | Very low | 26.6 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | trans | 79.1 | 134.5 | 165.6 | -67.9 | -177.1 | 173.4 | -87.4 | 0 | 119.6 | ||||
| 316 | Q | 30.6 | Very low | 26.5 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 55% | 0.547 | 72% | 0.715 | S | S | . | * | cis | -165.5 | 146.4 | -19.5 | -129.9 | -171.9 | -79.2 | 0 | 0 | 111.9 | ||||
| 317 | N | 24.8 | Very low | 26.7 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 58% | 0.583 | 71% | 0.714 | S | S | * | * | trans | 67.9 | 150.5 | 162.9 | -47.3 | -17.5 | 0 | 0 | 0 | 115.9 | ||||
| 318 | H | 25.6 | Very low | 26.7 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 70% | 0.704 | 72% | 0.72 | S | S | * | * | cis | -174.1 | 151.9 | -16.7 | -92 | -24.5 | 0 | 0 | 0 | 105.7 | ||||
| 319 | L | 27 | Very low | 26.6 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | cis | -161 | 143.1 | -2.2 | -101.5 | 160.6 | 0 | 0 | 0 | 109 | ||||
| 320 | S | 24.8 | Very low | 26.4 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | 46.3 | 146 | 128.1 | -56 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 321 | L | 22.1 | Very low | 26.4 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | cis | -164.1 | 155.2 | -1.1 | -144.4 | 78.9 | 0 | 0 | 0 | 110.7 | ||||
| 322 | S | 23.6 | Very low | 26.5 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | trans | 54.4 | 159.8 | 141.7 | -75.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 323 | V | 25.2 | Very low | 26.3 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | cis | -166.3 | -174.5 | -31.9 | 93.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 324 | E | 24.7 | Very low | 26.3 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | trans | 73.3 | 115.4 | 161.5 | -92.3 | 147.2 | -155.7 | 0 | 0 | 120.2 | ||||
| 325 | H | 26.6 | Very low | 26.4 | Very low | 195 Ų | 195 | 136.7 Ų | 136.7 | 90% | 0.903 | 73% | 0.734 | S | S | * | * | trans | -81.8 | 149.2 | 140 | -96 | -96.6 | 0 | 0 | 0 | 109 | ||||
| 326 | Q | 24.9 | Very low | 26.7 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | -137.5 | 131.3 | 171.5 | -168.5 | 175.1 | 102.5 | 0 | 0 | 110.2 | ||||
| 327 | S | 28.6 | Very low | 26.4 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -152.1 | 128.3 | 172.8 | 57.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 328 | L | 26.5 | Very low | 27.6 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -167.3 | 134.1 | 158.8 | -108.1 | 168 | 0 | 0 | 0 | 111.8 | ||||
| 329 | Q | 23.9 | Very low | 28.1 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | 78.4 | 90.1 | 133.8 | -155.4 | 161 | 17.1 | 0 | 0 | 122.3 | ||||
| 330 | A | 24.8 | Very low | 28.1 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | -161.2 | 115.9 | 125.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 331 | C | 26 | Very low | 28.1 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 66% | 0.655 | 78% | 0.781 | S | S | * | * | 68.1 | 128.4 | 79 | -67.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 332 | D | 26.2 | Very low | 28.4 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -158.4 | 159.7 | -12.2 | -86.8 | -41.1 | 0 | 0 | 0 | 110.1 | ||||
| 333 | D | 27.1 | Very low | 28.7 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 34.4 | 116.4 | 154 | -65.8 | -19.3 | 0 | 0 | 0 | 125 | ||||
| 334 | L | 28.9 | Very low | 28.6 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | 64.4 | 143.6 | 120 | -57.9 | 173.4 | 0 | 0 | 0 | 124.5 | |||||
| 335 | L | 32.7 | Very low | 28.8 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -43.8 | 169.4 | 167.8 | -55.1 | 165.9 | 0 | 0 | 0 | 115.7 | ||||
| 336 | P | 35.8 | Very low | 28.7 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | cis | -152.2 | 162.2 | 23.8 | 43.9 | -22.9 | 0 | 0 | 0 | 121 | ||||
| 337 | Y | 24.2 | Very low | 28.6 | Very low | 227 Ų | 227 | 144.4 Ų | 144.4 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | 55.8 | 174.5 | 143.9 | -86.4 | -53.4 | 0 | 0 | 0 | 122.6 | ||||
| 338 | P | 50.9 | Low | 28.9 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | trans | -116.4 | -175.6 | -141.4 | 45.7 | -34.2 | 0 | 0 | 0 | 116 | ||||
| 339 | P | 36.1 | Very low | 28.8 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | -148.5 | 172.4 | 126.1 | 38.9 | -23.3 | 0 | 0 | 0 | 117.4 | |||||
| 340 | H | 26.9 | Very low | 28.8 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 93% | 0.931 | 77% | 0.766 | S | S | * | * | trans | -67.8 | 162.4 | 171.8 | -83.1 | -112.4 | 0 | 0 | 0 | 115.1 | ||||
| 341 | G | 25.4 | Very low | 28.8 | Very low | 76 Ų | 76 | 139.5 Ų | 139.5 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | -174.9 | 115.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 342 | L | 28.1 | Very low | 28.9 | Very low | 155 Ų | 155 | 143 Ų | 143 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -72.3 | 153.7 | 172.3 | -82.2 | 76.2 | 0 | 0 | 0 | 113 | ||||
| 343 | L | 29.1 | Very low | 29.5 | Very low | 156 Ų | 156 | 142 Ų | 142 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | -168.8 | 114.9 | 116.1 | -128.5 | 72.4 | 0 | 0 | 0 | 117.5 | |||||
| 344 | S | 23.7 | Very low | 29.5 | Very low | 74 Ų | 74 | 139.7 Ų | 139.7 | 52% | 0.517 | 78% | 0.778 | S | S | . | * | trans | 54.4 | 135.4 | 133.3 | 76.8 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 345 | K | 29 | Very low | 29.5 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | 73 | 147.8 | 147.7 | -63.7 | 156.2 | -175 | 173.5 | 0 | 117 | ||||
| 346 | Q | 24.2 | Very low | 29.2 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | cis | -154 | 154 | -2.1 | -140.6 | 170.3 | -45.7 | 0 | 0 | 111.5 | ||||
| 347 | W | 23 | Very low | 28.7 | Very low | 221 Ų | 221 | 142.2 Ų | 142.2 | 84% | 0.837 | 79% | 0.785 | S | S | * | * | trans | -89.7 | 169.8 | 162.2 | -104.9 | 21.2 | 0 | 0 | 0 | 110.3 | ||||
| 348 | P | 35.7 | Very low | 30.3 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | cis | -146.7 | 165.5 | 31.5 | 41.5 | -20.8 | 0 | 0 | 0 | 120.4 | ||||
| 349 | C | 23.5 | Very low | 29.5 | Very low | 95 Ų | 95 | 138.2 Ų | 138.2 | 64% | 0.642 | 79% | 0.787 | S | S | * | * | trans | 26.2 | 133.3 | 140.8 | -47.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 350 | S | 23.7 | Very low | 28.9 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | 154.5 | 157.5 | 91.2 | 62.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 351 | S | 24.9 | Very low | 28.6 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 79.7 | 131.2 | 150.8 | 74.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 352 | M | 28.2 | Very low | 28.5 | Very low | 169 Ų | 169 | 136.3 Ų | 136.3 | 83% | 0.833 | 78% | 0.78 | S | S | * | * | trans | -86.6 | 160.4 | 155.2 | -71.1 | -119 | 73.3 | 0 | 0 | 109.1 | ||||
| 353 | P | 38.2 | Very low | 28.4 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | -162 | 174.9 | 80.5 | 44.2 | -22.7 | 0 | 0 | 0 | 119.9 | |||||
| 354 | A | 27.3 | Very low | 28.2 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 73.8 | 103.7 | 137.5 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 355 | K | 29.1 | Very low | 28.4 | Very low | 195 Ų | 195 | 134.3 Ų | 134.3 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | 74 | 140.5 | 104.4 | -143.9 | -175.9 | -172.8 | 178.4 | 0 | 121.7 | |||||
| 356 | Q | 26.6 | Very low | 28.2 | Very low | 188 Ų | 188 | 131.4 Ų | 131.4 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | 99.8 | 157.4 | 159.3 | -55 | -165 | 84.7 | 0 | 0 | 118.5 | ||||
| 357 | A | 24.6 | Very low | 28.4 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -134.9 | -149.7 | -164.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 358 | P | 57.3 | Low | 28.9 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | -113.4 | 170.3 | -112 | 40.3 | -27.3 | 0 | 0 | 0 | 115.3 | |||||
| 359 | P | 34.9 | Very low | 28.4 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -121.1 | -178.9 | 156.3 | 37.6 | -25.6 | 0 | 0 | 0 | 113.5 | ||||
| 360 | S | 23.4 | Very low | 28.8 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -126 | -152.6 | -163.4 | 61.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 361 | C | 20.1 | Very low | 29 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | 77.8 | 128.3 | -177.5 | -57.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 362 | V | 23.9 | Very low | 29.1 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | cis | 86.8 | 108.1 | 27.3 | -176.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 363 | S | 25.2 | Very low | 29.2 | Very low | 89 Ų | 89 | 137.2 Ų | 137.2 | 62% | 0.622 | 80% | 0.797 | S | S | * | * | trans | -164.5 | 125.7 | 153.1 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 364 | E | 25.8 | Very low | 28.8 | Very low | 184 Ų | 184 | 137.9 Ų | 137.9 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | 24.4 | 153.1 | 133.4 | -56.4 | 141.9 | 117.1 | 0 | 0 | 122.5 | ||||
| 365 | G | 27 | Very low | 28.8 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | 161.8 | 171.6 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 366 | S | 26.6 | Very low | 28.8 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | 69.9 | 151.3 | 169.3 | -91.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 367 | V | 27.2 | Very low | 28.9 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | cis | -169.3 | 164.2 | -24.1 | 115.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 368 | K | 33.4 | Very low | 29.1 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | trans | 78.2 | 139.1 | 179.9 | -66.5 | 172.8 | 179 | 171.8 | 0 | 116.7 | ||||
| 369 | G | 26.1 | Very low | 27.6 | Very low | 78 Ų | 78 | 141.9 Ų | 141.9 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | 166.8 | 137.4 | -13.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 370 | R | 31.2 | Very low | 27.1 | Very low | 236 Ų | 236 | 143.1 Ų | 143.1 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | 81.9 | 103.1 | 161.5 | -98.2 | -169.1 | 177.2 | -170.4 | -1.7 | 122.1 | ||||
| 371 | T | 29 | Very low | 27.8 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | 84.7 | 131.4 | 124.3 | 40.6 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 372 | Q | 27.1 | Very low | 28.2 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | 81.3 | 135.4 | 148.6 | -157.1 | 176.9 | -0.3 | 0 | 0 | 117.8 | ||||
| 373 | K | 29.6 | Very low | 28.4 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | cis | -162.6 | 160.6 | -32.9 | -169 | -174.9 | 175.1 | -147.3 | 0 | 107.4 | ||||
| 374 | E | 29.1 | Very low | 28.7 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 61% | 0.607 | 79% | 0.791 | S | S | * | * | trans | 79.5 | 130.3 | 161.1 | -90.4 | 147.8 | -135.2 | 0 | 0 | 120.4 | ||||
| 375 | N | 28 | Very low | 28.7 | Very low | 144 Ų | 144 | 149.4 Ų | 149.4 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 71.1 | 73.7 | 145.5 | -54.4 | -12.6 | 0 | 0 | 0 | 120.4 | ||||
| 376 | L | 28.6 | Very low | 29.2 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | 1.9 | 121.3 | 120.6 | -179.4 | 69.6 | 0 | 0 | 0 | 116.5 | |||||
| 377 | F | 29.5 | Very low | 29.2 | Very low | 194 Ų | 194 | 152.8 Ų | 152.8 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | -161 | 166.9 | 106.8 | -98.1 | -64.2 | 0 | 0 | 0 | 111.2 | |||||
| 378 | Q | 27.8 | Very low | 29.3 | Very low | 164 Ų | 164 | 154.2 Ų | 154.2 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -137.5 | 102.1 | -148.5 | 179.4 | -177.5 | -6.3 | 0 | 0 | 113.1 | ||||
| 379 | T | 26.2 | Very low | 28.9 | Very low | 142 Ų | 142 | 149 Ų | 149 | 87% | 0.871 | 78% | 0.78 | S | S | * | * | trans | -138.5 | 47.6 | 172.9 | 47.5 | 0 | 0 | 0 | 0 | 112.3 | K381 | T379-K381 PolarHBondContact O-N 2.94Š| ||
| 380 | N | 24.8 | Very low | 28.9 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -72.9 | 112 | 178.6 | -97 | -40 | 0 | 0 | 0 | 112.3 | ||||
| 381 | K | 37.2 | Very low | 28.8 | Very low | 194 Ų | 194 | 147.7 Ų | 147.7 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -63.1 | 137.5 | 166.4 | -62.5 | -176.4 | 179.2 | -175 | 0 | 111.1 | T379 | T379-K381 PolarHBondContact O-N 2.94Š| ||
| 382 | L | 28.3 | Very low | 28.9 | Very low | 147 Ų | 147 | 145 Ų | 145 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -141 | 143.8 | 156.4 | -67.2 | 176.2 | 0 | 0 | 0 | 108.5 | ||||
| 383 | K | 28.6 | Very low | 29.7 | Very low | 171 Ų | 171 | 141.9 Ų | 141.9 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | cis | -170.9 | 134.5 | -32.8 | -124.1 | -179.8 | -157.3 | 169.2 | 0 | 104.7 | ||||
| 384 | S | 31.6 | Very low | 30 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -77.1 | 135.5 | 158.5 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 385 | L | 25.6 | Very low | 30.3 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -159.9 | 126.1 | 152.1 | -120.7 | 165.1 | 0 | 0 | 0 | 109.9 | ||||
| 386 | S | 36.8 | Very low | 30.4 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -106 | 139.1 | -173.5 | 45 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 387 | H | 27.9 | Very low | 30.6 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -160.6 | 148.9 | 168.1 | -79 | -62.8 | 0 | 0 | 0 | 108.4 | ||||
| 388 | L | 27.9 | Very low | 30.9 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | cis | -168.1 | 133.6 | -17.2 | 175.4 | 64.1 | 0 | 0 | 0 | 109.7 | ||||
| 389 | A | 25.8 | Very low | 31.3 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | 62 | 150.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 390 | G | 26.3 | Very low | 31.9 | Very low | 72 Ų | 72 | 147 Ų | 147 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -168.3 | -30.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 391 | K | 29.9 | Very low | 32.4 | Very low | 213 Ų | 213 | 145.8 Ų | 145.8 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | trans | 69.2 | 154.6 | -171.4 | -57.6 | 179.2 | 173.6 | -178.2 | 0 | 115.7 | ||||
| 392 | G | 30.9 | Very low | 32.1 | Very low | 67 Ų | 67 | 144.7 Ų | 144.7 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -91.4 | -152.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 393 | P | 43.6 | Very low | 32.3 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | cis | -102.8 | 165.2 | 29.7 | 37.8 | -36.3 | 0 | 0 | 0 | 115.5 | ||||
| 394 | D | 34.6 | Very low | 32.3 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | -104.4 | 130.2 | 159.8 | -175.2 | 7.8 | 0 | 0 | 0 | 107.1 | ||||
| 395 | S | 35.5 | Very low | 32.8 | Very low | 93 Ų | 93 | 147.2 Ų | 147.2 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | trans | -165.7 | 93 | -173.8 | -65.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 396 | F | 30.3 | Very low | 33.2 | Very low | 208 Ų | 208 | 147.7 Ų | 147.7 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | trans | -119.4 | 109.5 | 152.8 | -92.2 | -81.4 | 0 | 0 | 0 | 108.9 | ||||
| 397 | E | 33 | Very low | 33.1 | Very low | 184 Ų | 184 | 151.9 Ų | 151.9 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -77.4 | 135.2 | 175.2 | -172.9 | 162.6 | -161.9 | 0 | 0 | 108.6 | E399 | E397-E399 PolarHBondContact O-N 3.38Š| ||
| 398 | M | 35.5 | Very low | 33.4 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -86.4 | 97.3 | 172.6 | -79.4 | -70 | -62.8 | 0 | 0 | 107.9 | E400 | M398-E400 PolarHBondContact O-N 2.7Š| ||
| 399 | E | 37.1 | Very low | 33.3 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -78.1 | 116.6 | 177.6 | -164 | 166.8 | -146.6 | 0 | 0 | 109.7 | E397 V401 | E397-E399 PolarHBondContact O-N 3.38Å; E399-V401 PolarHBondContact O-N 2.98Å | ||
| 400 | E | 39.2 | Very low | 33.4 | Very low | 177 Ų | 177 | 149.6 Ų | 149.6 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -72.5 | 88.4 | 177.5 | -69.9 | -175.2 | 143.1 | 0 | 0 | 110.3 | M398 Q402 | M398-E400 PolarHBondContact O-N 2.7Å; E400-Q402 PolarHBondContact O-N 3.48Å | ||
| 401 | V | 34.8 | Very low | 33.8 | Very low | 134 Ų | 134 | 151.4 Ų | 151.4 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -69.9 | 91.8 | 173.8 | -75.8 | 0 | 0 | 0 | 0 | 111.1 | E399 S403 | E399-V401 PolarHBondContact O-N 2.98Å; V401-S403 PolarHBondContact O-N 2.89Å | ||
| 402 | Q | 30.1 | Very low | 33.8 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -59.9 | 121.5 | 170.5 | -65 | 173.7 | -6.3 | 0 | 0 | 109.9 | E400 F404 | E400-Q402 PolarHBondContact O-N 3.48Å; Q402-F404 PolarHBondContact O-N 3.49Å | ||
| 403 | S | 32.8 | Very low | 33.6 | Very low | 121 Ų | 121 | 152.9 Ų | 152.9 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -75.4 | 113.5 | 171.5 | 51.9 | 0 | 0 | 0 | 0 | 109.9 | V401 | V401-S403 PolarHBondContact O-N 2.89Š| ||
| 404 | F | 29 | Very low | 32.9 | Very low | 167 Ų | 167 | 153.9 Ų | 153.9 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -93.6 | 150.6 | 166 | 77.9 | -82.5 | 0 | 0 | 0 | 110.3 | Q402 E406 | Q402-F404 PolarHBondContact O-N 3.49Å; F404-E406 HydrophobicContact CD2-CB 4.05Å; F404-E406 HydrophobicContact CE2-CB 3.7Å | ||
| 405 | E | 42.8 | Very low | 32.4 | Very low | 196 Ų | 196 | 152.1 Ų | 152.1 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -95.4 | 123.8 | 174.5 | -61.2 | 168.6 | 122.9 | 0 | 0 | 109.1 | ||||
| 406 | E | 34.5 | Very low | 32.2 | Very low | 155 Ų | 155 | 153.5 Ų | 153.5 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | trans | -151.3 | 98.8 | 162.5 | -158.5 | 165.3 | -167.4 | 0 | 0 | 110.8 | F404 | F404-E406 HydrophobicContact CD2-CB 4.05Å; F404-E406 HydrophobicContact CE2-CB 3.7Å | ||
| 407 | E | 32.9 | Very low | 32.1 | Very low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | 49.9 | 127.5 | 122.5 | -151.8 | 172.7 | 152.5 | 0 | 0 | 120.7 | G409 | E407-G409 PolarHBondContact O-N 3.17Š| |||
| 408 | T | 34.2 | Very low | 31.8 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -75.1 | 111.6 | -171.2 | -53.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 409 | G | 26.7 | Very low | 31.4 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -133.9 | 105 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | E407 | E407-G409 PolarHBondContact O-N 3.17Š| ||
| 410 | N | 28.9 | Very low | 31.1 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -71.3 | 139.4 | 164.9 | -79.2 | -61.5 | 0 | 0 | 0 | 110.2 | ||||
| 411 | P | 34.2 | Very low | 30.8 | Very low | 110 Ų | 110 | 135 Ų | 135 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | -154.9 | 149.8 | 97.3 | 38.9 | -20.8 | 0 | 0 | 0 | 118.3 | |||||
| 412 | L | 29.5 | Very low | 30.5 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | 45 | 107.5 | 138 | -67.5 | 164.8 | 0 | 0 | 0 | 122.2 | ||||
| 413 | D | 27.1 | Very low | 30.7 | Very low | 153 Ų | 153 | 138 Ų | 138 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | 82.6 | 154.8 | 115 | -145.4 | 0.3 | 0 | 0 | 0 | 121.9 | |||||
| 414 | M | 27.6 | Very low | 30.6 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | trans | 85 | 78.1 | 154.9 | -157.4 | 148.8 | 55.9 | 0 | 0 | 122.7 | ||||
| 415 | T | 25.9 | Very low | 31.1 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | 74.5 | 148 | 130.1 | 68.1 | 0 | 0 | 0 | 0 | 125 | ||||
| 416 | S | 30.5 | Very low | 30.5 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 75.6 | 132.2 | 150.5 | -53.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 417 | G | 27.1 | Very low | 30.4 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -173.8 | -24.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 418 | T | 27.1 | Very low | 30.4 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | trans | 54.4 | 110.7 | 161.6 | -55.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 419 | V | 27.3 | Very low | 30.3 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | trans | 72.5 | 116.2 | 151.9 | 176.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 420 | G | 30.5 | Very low | 30.7 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -174.8 | 72.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R422 | G420-R422 PolarHBondContact O-N 2.98Š| ||
| 421 | A | 32.6 | Very low | 30.9 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -63.6 | 121.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 422 | R | 30.2 | Very low | 30.9 | Very low | 227 Ų | 227 | 137.6 Ų | 137.6 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -117.4 | 155.8 | 162.6 | -75.7 | -167.7 | 170.4 | -140.2 | -0.5 | 109.8 | G420 | G420-R422 PolarHBondContact O-N 2.98Š| ||
| 423 | V | 34.5 | Very low | 31 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -112.5 | 101.4 | -175.5 | 177.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 424 | D | 29.9 | Very low | 31.6 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -78.6 | 125.1 | -179 | -62.4 | -45.8 | 0 | 0 | 0 | 110.5 | A426 | D424-A426 PolarHBondContact O-N 3.26Š| ||
| 425 | R | 38.3 | Very low | 31.8 | Very low | 224 Ų | 224 | 130 Ų | 130 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -93.5 | 98.7 | -174.5 | 179.7 | -167.8 | -179.4 | 97.5 | 0.7 | 108.8 | N427 | R425-N427 PolarHBondContact O-N 3.35Å; R425-N427 PolarHBondContact O-OD1 2.84Å | ||
| 426 | A | 30.6 | Very low | 31.9 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | -57 | 128.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D424 | D424-A426 PolarHBondContact O-N 3.26Š| ||
| 427 | N | 32.9 | Very low | 32.2 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | trans | -130.7 | 100 | 173.2 | 59 | -56.7 | 0 | 0 | 0 | 109.9 | R425 | R425-N427 PolarHBondContact O-N 3.35Å; R425-N427 PolarHBondContact O-OD1 2.84Å | ||
| 428 | S | 32.5 | Very low | 32.6 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -80.8 | 127.6 | 167.8 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 429 | C | 32.5 | Very low | 33.1 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -151.6 | 152.6 | 160.1 | -87.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 430 | Q | 35.7 | Very low | 33.5 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -100.8 | 147.9 | -163.3 | -60.2 | 168.7 | -91 | 0 | 0 | 113.6 | ||||
| 431 | S | 32.3 | Very low | 33.6 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | 66.5 | 150.6 | 157 | -53.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 432 | D | 33.7 | Very low | 33.7 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | cis | -149.7 | 166.4 | 26.3 | 68.8 | -53.3 | 0 | 0 | 0 | 117.1 | ||||
| 433 | S | 33 | Very low | 33.7 | Very low | 102 Ų | 102 | 144.5 Ų | 144.5 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | trans | 64.8 | 107.9 | 148.8 | -53.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 434 | S | 38.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | 84.3 | 85.7 | 131.6 | -168.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 435 | G | 33.6 | Very low | 33.6 | Very low | 71 Ų | 71 | 142.8 Ų | 142.8 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | 99 | 114.6 | 106.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 436 | F | 27.4 | Very low | 33 | Very low | 214 Ų | 214 | 140.2 Ų | 140.2 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | -156.6 | 172 | 127.5 | -136.3 | -105.9 | 0 | 0 | 0 | 110.7 | |||||
| 437 | L | 36.8 | Very low | 33 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -86.5 | 136.9 | 170 | -97.2 | 160.9 | 0 | 0 | 0 | 110.2 | ||||
| 438 | E | 34.2 | Very low | 32.6 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -126.8 | 125.5 | 159.1 | -169 | 167.1 | -160.9 | 0 | 0 | 108.3 | ||||
| 439 | E | 38.2 | Very low | 32.4 | Very low | 167 Ų | 167 | 145.4 Ų | 145.4 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | trans | -93.5 | 118.5 | -168.1 | -179.6 | 176.1 | -149.2 | 0 | 0 | 110.7 | L441 | E439-L441 PolarHBondContact O-N 3.25Å; E439-L441 VanDerWaalsContact O-N 3.15Å | ||
| 440 | P | 36.5 | Very low | 32.1 | Very low | 123 Ų | 123 | 145 Ų | 145 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -74.1 | 107.2 | 175.2 | 29.3 | -32.4 | 0 | 0 | 0 | 110.3 | ||||
| 441 | L | 32.1 | Very low | 31.8 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -51.5 | 137.3 | 177.4 | -68.1 | 168.3 | 0 | 0 | 0 | 113 | E439 P443 | E439-L441 PolarHBondContact O-N 3.25Å; E439-L441 VanDerWaalsContact O-N 3.15Å; L441-P443 WeakPolarHBondContact O-CD 3.34Å | ||
| 442 | E | 34.5 | Very low | 32 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -57 | 123 | 172.3 | -72.2 | -174.5 | 105.4 | 0 | 0 | 112.2 | L444 | E442-L444 PolarHBondContact O-N 2.98Å; E442-L444 VanDerWaalsContact O-N 3.17Å | ||
| 443 | P | 31.2 | Very low | 31.5 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | trans | -79.9 | 94.9 | 165.9 | 31.7 | -31.3 | 0 | 0 | 0 | 109.9 | L441 | L441-P443 WeakPolarHBondContact O-CD 3.34Š| ||
| 444 | L | 30.9 | Very low | 31.2 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 73% | 0.728 | 81% | 0.808 | S | S | * | * | trans | -53.7 | 144.5 | 167.1 | -109.3 | 80.1 | 0 | 0 | 0 | 110.5 | E442 L446 | E442-L444 PolarHBondContact O-N 2.98Å; E442-L444 VanDerWaalsContact O-N 3.17Å; L444-L446 PolarHBondContact O-N 3.14Å; L444-L446 VanDerWaalsContact O-N 3.1Å | ||
| 445 | P | 30.4 | Very low | 30.8 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -71.7 | 109.4 | -155.8 | 25.9 | -35.4 | 0 | 0 | 0 | 113.8 | Q447 | P445-Q447 VanDerWaalsContact C-N 3.32Å; P445-Q447 PolarHBondContact O-N 3.27Å | ||
| 446 | L | 26.6 | Very low | 30.5 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -74.3 | 87.6 | 166.1 | -77.3 | 179.1 | 0 | 0 | 0 | 111 | L444 M448 | L444-L446 PolarHBondContact O-N 3.14Å; L444-L446 VanDerWaalsContact O-N 3.1Å; L446-M448 PolarHBondContact O-N 3.06Å; L446-M448 VanDerWaalsContact O-N 3.07Å | ||
| 447 | Q | 29.6 | Very low | 31.3 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -41.8 | 103.2 | 168 | -178.3 | 174 | 94.4 | 0 | 0 | 112.9 | P445 | P445-Q447 VanDerWaalsContact C-N 3.32Å; P445-Q447 PolarHBondContact O-N 3.27Å | ||
| 448 | M | 25.7 | Very low | 30.9 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 84% | 0.837 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 130.1 | 176.5 | -81.4 | -70 | -75.5 | 0 | 0 | 111.6 | L446 | L446-M448 PolarHBondContact O-N 3.06Å; L446-M448 VanDerWaalsContact O-N 3.07Å |
| 449 | P | 27.9 | Very low | 30.7 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 135.8 | -176.7 | 31.7 | -34.6 | 0 | 0 | 0 | 112.8 | ||
| 450 | S | 26.7 | Very low | 30.3 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 135 | 172.9 | -48.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 451 | L | 28 | Very low | 30 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 166.9 | 170.5 | -84.4 | 161.2 | 0 | 0 | 0 | 111.4 | ||
| 452 | P | 36.1 | Very low | 29.8 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -105.7 | 167.2 | -136.7 | 39.4 | -38.8 | 0 | 0 | 0 | 115.7 | ||||
| 453 | N | 23.3 | Very low | 29.7 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | trans | -149.7 | 163 | 130.9 | -143.5 | -30.8 | 0 | 0 | 0 | 112.8 | ||||
| 454 | S | 28.3 | Very low | 29.6 | Very low | 89 Ų | 89 | 141 Ų | 141 | 62% | 0.622 | 80% | 0.803 | S | S | * | * | trans | -60.6 | 165.7 | 171.3 | 63.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 455 | Q | 28.9 | Very low | 30.2 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | cis | -144.4 | 169.2 | 28.1 | -63.5 | 173.6 | -15.8 | 0 | 0 | 113.4 | ||||
| 456 | S | 26.6 | Very low | 30 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -107.7 | -173.6 | 173.2 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 457 | P | 44.1 | Very low | 29.9 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | -130.3 | 178 | -16.1 | 38.6 | -22.6 | 0 | 0 | 0 | 113.7 | ||||
| 458 | A | 29.6 | Very low | 29.8 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | 170.1 | 126.9 | 126.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 459 | E | 30.3 | Very low | 29.8 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 42 | 118.4 | 139.1 | -63.8 | -153.9 | 80.3 | 0 | 0 | 125.4 | ||||
| 460 | N | 29.4 | Very low | 29.7 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | 65 | 116.9 | 122.4 | -68.9 | -44.4 | 0 | 0 | 0 | 123.2 | |||||
| 461 | G | 30.1 | Very low | 29.6 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | trans | 87.8 | 153.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 462 | G | 27.5 | Very low | 29.6 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | cis | 156.6 | 138.8 | -5.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 463 | R | 32.2 | Very low | 29 | Very low | 248 Ų | 248 | 136.7 Ų | 136.7 | 94% | 0.936 | 76% | 0.76 | S | S | * | * | trans | 69.2 | 119.2 | 174.9 | -63.3 | -177.9 | 176.3 | -87.5 | -0.8 | 118.6 | ||||
| 464 | K | 28.7 | Very low | 29.2 | Very low | 199 Ų | 199 | 134.7 Ų | 134.7 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | trans | -63.5 | 166.2 | 139 | -79.1 | -176.3 | 175.5 | 178.7 | 0 | 110 | ||||
| 465 | P | 44 | Very low | 29.1 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | cis | -139.8 | -166.7 | 10 | 38.8 | -18.2 | 0 | 0 | 0 | 115.5 | ||||
| 466 | R | 26 | Very low | 28.9 | Very low | 201 Ų | 201 | 133 Ų | 133 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | trans | 90.4 | 122.6 | 137.5 | -93.8 | -154.9 | 175.5 | -133.9 | 6 | 120.7 | ||||
| 467 | D | 24.6 | Very low | 28.8 | Very low | 90 Ų | 90 | 134 Ų | 134 | 48% | 0.481 | 75% | 0.75 | S | S | . | * | 75.4 | 127.3 | 124.1 | -73.3 | 19.1 | 0 | 0 | 0 | 122.7 | |||||
| 468 | Q | 28.1 | Very low | 27.9 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | trans | 70.8 | 142.8 | 134.9 | -66.2 | 174.2 | 66.2 | 0 | 0 | 117.9 | ||||
| 469 | S | 25.3 | Very low | 27.8 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 49% | 0.49 | 76% | 0.755 | S | S | . | * | cis | -178.3 | 151.9 | -15.2 | 52.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 470 | H | 26.8 | Very low | 27.8 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 83% | 0.833 | 75% | 0.754 | S | S | * | * | trans | 66.9 | 154.1 | 160.7 | -53.4 | -46.5 | 0 | 0 | 0 | 115.3 | ||||
| 471 | S | 23.9 | Very low | 27.6 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | cis | -167.7 | -167 | -16.7 | 50.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 472 | L | 27.4 | Very low | 27.5 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | 72.3 | 87.4 | 158.9 | -68.8 | 162.5 | 0 | 0 | 0 | 117.7 | ||||
| 473 | V | 24.4 | Very low | 27.5 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | trans | -61.4 | 122.8 | 138 | 172.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 474 | S | 26 | Very low | 27.3 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | -179.6 | 113.5 | 135 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 475 | S | 27.1 | Very low | 28.1 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -86.6 | 129.7 | 175.8 | 50.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 476 | Q | 24.7 | Very low | 27.3 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 60% | 0.603 | 74% | 0.739 | S | S | * | * | trans | -146.6 | 95.6 | 165.9 | -171.4 | 113.9 | 116.2 | 0 | 0 | 112 | ||||
| 477 | D | 24.2 | Very low | 27.6 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | 32.6 | 121.7 | 144.6 | -66.9 | -63.7 | 0 | 0 | 0 | 123.9 | ||||
| 478 | C | 25.6 | Very low | 27.8 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | 65.8 | 109.3 | 121.3 | -61.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 479 | Q | 26.7 | Very low | 27.8 | Very low | 185 Ų | 185 | 130.3 Ų | 130.3 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -152.5 | 156.6 | 134.7 | -81.2 | -153.7 | -33.3 | 0 | 0 | 109.7 | ||||
| 480 | L | 31.4 | Very low | 27.8 | Very low | 145 Ų | 145 | 138 Ų | 138 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | cis | -168.9 | -174.7 | -40.6 | -128.9 | 165.8 | 0 | 0 | 0 | 108.6 | ||||
| 481 | E | 25.2 | Very low | 27.7 | Very low | 185 Ų | 185 | 133.8 Ų | 133.8 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | 83.2 | 130.5 | 176.3 | -56.7 | -166.6 | 116.6 | 0 | 0 | 116.9 | ||||
| 482 | S | 27.3 | Very low | 27.7 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | cis | -152.8 | 136.3 | -6.1 | 158.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 483 | D | 28.1 | Very low | 27.5 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | 47.4 | 108.2 | 149.4 | -56.5 | -68 | 0 | 0 | 0 | 122.5 | ||||
| 484 | G | 27.9 | Very low | 27.4 | Very low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -63.2 | -125.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 485 | P | 45.2 | Very low | 27.6 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -120.7 | 170.5 | 10.8 | 41.8 | -29.4 | 0 | 0 | 0 | 115.4 | ||||
| 486 | D | 27.5 | Very low | 27.5 | Very low | 145 Ų | 145 | 137 Ų | 137 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 57.6 | 141.2 | 149.9 | -81 | -51.5 | 0 | 0 | 0 | 122 | ||||
| 487 | S | 31.3 | Very low | 27.6 | Very low | 79 Ų | 79 | 136 Ų | 136 | 55% | 0.552 | 78% | 0.779 | S | S | * | * | cis | -158.9 | 154.9 | -10.7 | -138.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 488 | K | 29.7 | Very low | 27.8 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | 17.2 | 118.1 | 152.3 | -60.4 | 161.6 | -175.6 | 162.4 | 0 | 119.2 | ||||
| 489 | S | 27.6 | Very low | 27.9 | Very low | 132 Ų | 132 | 140 Ų | 140 | 92% | 0.923 | 78% | 0.782 | S | S | * | * | -157.5 | 165.6 | 107.1 | -161.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 490 | R | 25.1 | Very low | 28.1 | Very low | 232 Ų | 232 | 135.3 Ų | 135.3 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | trans | -117.1 | 136.7 | -169.2 | -173.7 | 177.8 | 72.5 | 170.7 | 3.7 | 112.1 | ||||
| 491 | A | 25.9 | Very low | 27.8 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 54 | 79 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | M493 | A491-M493 PolarHBondContact O-N 3.18Š| ||
| 492 | S | 23.3 | Very low | 27.9 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -65.3 | 109.8 | 164.7 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | S494 | S492-S494 WeakPolarHBondContact CB-OG 3.45Š| ||
| 493 | M | 22.9 | Very low | 28.6 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | -70.1 | 127.8 | 130.9 | -70 | -171.9 | -175.6 | 0 | 0 | 106.6 | A491 F495 | A491-M493 PolarHBondContact O-N 3.18Å; M493-F495 HydrophobicContact CB-CE2 4.49Å; M493-F495 HydrophobicContact SD-CE2 4.17Å | ||
| 494 | S | 23.5 | Very low | 29.3 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -130.6 | 82.4 | 171.6 | -70.4 | 0 | 0 | 0 | 0 | 109.9 | S492 | S492-S494 WeakPolarHBondContact CB-OG 3.45Š| ||
| 495 | F | 29.1 | Very low | 29.6 | Very low | 189 Ų | 189 | 142.1 Ų | 142.1 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -58.5 | 131.6 | 152.2 | -62.8 | -96.5 | 0 | 0 | 0 | 108.8 | M493 | M493-F495 HydrophobicContact CB-CE2 4.49Å; M493-F495 HydrophobicContact SD-CE2 4.17Å | ||
| 496 | S | 25 | Very low | 29.3 | Very low | 117 Ų | 117 | 148 Ų | 148 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -161 | 118.1 | 145.5 | -162 | 0 | 0 | 0 | 0 | 110 | ||||
| 497 | S | 27.1 | Very low | 29.4 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -72.5 | 149.2 | 153.2 | 45.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 498 | Q | 27.9 | Very low | 29.3 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | 170.4 | 98 | 121.4 | -171.8 | 152.1 | 25.5 | 0 | 0 | 113.9 | |||||
| 499 | E | 28.9 | Very low | 29 | Very low | 163 Ų | 163 | 144 Ų | 144 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | 65.1 | 154.7 | 138 | -63.4 | 179.9 | 113.7 | 0 | 0 | 124.9 | ||||
| 500 | A | 29.3 | Very low | 28.9 | Very low | 86 Ų | 86 | 142.9 Ų | 142.9 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 67.5 | 114.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 501 | N | 25.4 | Very low | 29.1 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | cis | -154.8 | 175.4 | 14 | -91.3 | -41.9 | 0 | 0 | 0 | 112.6 | ||||
| 502 | A | 27.7 | Very low | 29.4 | Very low | 85 Ų | 85 | 140.4 Ų | 140.4 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 92.1 | 68.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 503 | L | 42.5 | Very low | 29.7 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 57 | 66.4 | 145.5 | -139.1 | 74.3 | 0 | 0 | 0 | 117.7 | ||
| 504 | E | 43.4 | Very low | 30.1 | Very low | 192 Ų | 192 | 142.9 Ų | 142.9 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | 55.3 | 99.3 | 154.8 | -60.9 | -175.5 | 142 | 0 | 0 | 117.3 | ||||
| 505 | Q | 34 | Very low | 30.5 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -93.8 | 161.7 | -175.4 | -70.6 | -170.5 | -2.6 | 0 | 0 | 115.2 | ||||
| 506 | R | 38.8 | Very low | 30.2 | Very low | 237 Ų | 237 | 146.4 Ų | 146.4 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -53.4 | 169.2 | 170.1 | -47.5 | -62.1 | -178.8 | 124.3 | -4.2 | 112.4 | ||||
| 507 | A | 28.3 | Very low | 30.2 | Very low | 80 Ų | 80 | 147.7 Ų | 147.7 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | cis | -153 | 156.6 | 18.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 508 | S | 29.6 | Very low | 30.2 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | 39.5 | 108.6 | 98.1 | -46.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 509 | V | 24.6 | Very low | 30.1 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | cis | 76.5 | 97.4 | 41.7 | -171.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 510 | S | 24.5 | Very low | 30.2 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -157.1 | 109.5 | 158.4 | 53.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 511 | V | 29.6 | Very low | 30.2 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | 84.5 | 115.9 | 76.2 | 167 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 512 | M | 31 | Very low | 30.5 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | trans | 64.4 | 145.3 | 170.7 | -67.5 | 159 | 72.4 | 0 | 0 | 115.9 | ||||
| 513 | E | 30.5 | Very low | 30.5 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | cis | -156.5 | 166.4 | 2.3 | -131.1 | 161.5 | -179 | 0 | 0 | 111.9 | ||||
| 514 | E | 32 | Very low | 30.3 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | trans | 63.4 | 155 | 159.2 | -62.2 | -164.1 | 131.1 | 0 | 0 | 123.8 | ||||
| 515 | E | 30.6 | Very low | 29.9 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | trans | 39.5 | 129.9 | 165 | -65.2 | -160.5 | 128.8 | 0 | 0 | 123.9 | ||||
| 516 | F | 23.9 | Very low | 29.5 | Very low | 201 Ų | 201 | 133.9 Ų | 133.9 | 88% | 0.882 | 72% | 0.722 | S | S | * | * | trans | -164.5 | 129.3 | 130.6 | -103.7 | -78 | 0 | 0 | 0 | 106.9 | ||||
| 517 | L | 24.8 | Very low | 28.9 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | 63.7 | 121 | 54.3 | -84.9 | 172.3 | 0 | 0 | 0 | 115.7 | |||||
| 518 | L | 26.7 | Very low | 28.9 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | trans | -88.8 | 141 | 173.1 | -79.8 | 158.8 | 0 | 0 | 0 | 111.1 | F590 | L518-F590 HydrophobicContact CD1-CD2 4.01Å; L518-F590 HydrophobicContact CD1-CE2 3.85Å; L518-F590 HydrophobicContact CD1-CZ 4.23Å | ||
| 519 | E | 26.8 | Very low | 29.1 | Very low | 143 Ų | 143 | 137 Ų | 137 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | 172 | 125.2 | 107.9 | -175.2 | 156.5 | -143.3 | 0 | 0 | 113.5 | F590 | E519-F590 HydrophobicContact CG-CD1 4.34Å; E519-F590 WeakPolarHBondContact OE1-CD1 3.32Å | |||
| 520 | A | 29.3 | Very low | 29.4 | Very low | 35 Ų | 35 | 135.7 Ų | 135.7 | 29% | 0.289 | 72% | 0.716 | S | S | . | * | trans | 52.2 | 127.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 124.5 | V591 R592 | A520-V591 HydrophobicContact CB-CB 4.26Å; A520-V591 HydrophobicContact CB-CG1 3.75Å; A520-V591 HydrophobicContact CB-CG2 4.05Å; A520-R592 WeakPolarHBondContact CB-O 3.44Å | ||
| 521 | M | 30.4 | Very low | 29.6 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | -161.5 | 156.4 | 117.3 | -90.8 | -145.9 | 75.6 | 0 | 0 | 114.7 | P593 | M521-P593 VanDerWaalsContact CA-CG 3.5Å; M521-P593 HydrophobicContact CB-CG 3.95Å; M521-P593 HydrophobicContact CE-CB 3.88Å; M521-P593 HydrophobicContact CE-CG 3.64Å; M521-P593 HydrophobicContact CG-CG 3.66Å; M521-P593 HydrophobicContact SD-CG 4.45Å | |||
| 522 | E | 31.6 | Very low | 29.4 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 45% | 0.453 | 73% | 0.725 | S | S | . | * | trans | -39.4 | 162.6 | 179.5 | -110.6 | 146.4 | 151.9 | 0 | 0 | 118 | P593 E594 G595 | E522-P593 HydrophobicContact CB-CG 4.19Å; E522-P593 HydrophobicContact CG-CG 4.28Å; E522-P593 VanDerWaalsContact N-CG 3.34Å; E522-P593 VanDerWaalsContact OE2-C 3.3Å; E522-P593 WeakPolarHBondContact OE2-CB 3.48Å; E522-E594 PolarHBondContact OE1-N 3.34Å; E522-E594 PolarHBondContact OE2-N 3.23Å; E522-G595 PolarHBondContact OE1-N 2.94Å; E522-G595 VanDerWaalsContact OE2-CA 3.31Å; E522-G595 WeakPolarHBondContact OE2-CA 3.44Å; E522-G595 PolarHBondContact OE2-N 2.92Å | ||
| 523 | G | 27.5 | Very low | 29.1 | Very low | 58 Ų | 58 | 137.3 Ų | 137.3 | 60% | 0.598 | 72% | 0.723 | S | S | * | * | cis | 171.4 | 161.6 | 2.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 524 | P | 37.3 | Very low | 28.9 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | trans | -100 | 150.6 | -158.7 | 36.7 | -35.7 | 0 | 0 | 0 | 116.4 | ||||
| 525 | P | 35.5 | Very low | 28.5 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | -113.6 | 128.8 | 150.7 | 34.1 | -24.2 | 0 | 0 | 0 | 112.3 | ||||
| 526 | E | 27.1 | Very low | 28.4 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | -58.1 | 149.7 | 178.8 | -51 | 161.4 | 124.7 | 0 | 0 | 114.1 | ||||
| 527 | L | 26.3 | Very low | 28.4 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | 167.4 | 152.7 | 107.7 | -90.1 | 169.6 | 0 | 0 | 0 | 115.4 | |||||
| 528 | Y | 27.5 | Very low | 28.3 | Very low | 199 Ų | 199 | 129.7 Ų | 129.7 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | trans | 55.8 | 93.3 | 161.5 | -71 | -62.1 | 0 | 0 | 0 | 120.8 | ||||
| 529 | I | 34.1 | Very low | 28.2 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | trans | -58.3 | 142.9 | 137.5 | -60.9 | 164.5 | 0 | 0 | 0 | 109.3 | ||||
| 530 | P | 30.6 | Very low | 28 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | trans | -129.8 | 127.3 | 137.5 | 32.1 | -20.1 | 0 | 0 | 0 | 112.5 | ||||
| 531 | D | 27.9 | Very low | 27.8 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | trans | -52.5 | 151.1 | 157.7 | -80.3 | -60.8 | 0 | 0 | 0 | 110.9 | ||||
| 532 | M | 26.3 | Very low | 27.5 | Very low | 179 Ų | 179 | 135 Ų | 135 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | trans | -149.1 | 105.9 | 145.9 | -159.8 | 135.5 | 57.9 | 0 | 0 | 113.2 | ||||
| 533 | A | 24.7 | Very low | 27.1 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -62 | 148.9 | 165 | 0 | 0 | 0 | 0 | 0 | 111.1 | A535 | A533-A535 PolarHBondContact O-N 3.2Š| ||
| 534 | C | 25.6 | Very low | 27.9 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 91% | 0.912 | 79% | 0.788 | S | S | * | * | trans | -75.2 | 59.4 | 174.8 | -69.7 | 0 | 0 | 0 | 0 | 113.4 | K536 | C534-K536 PolarHBondContact O-N 3.44Š| ||
| 535 | A | 24 | Very low | 27.3 | Very low | 88 Ų | 88 | 143 Ų | 143 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -74.6 | 111.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A533 T537 | A533-A535 PolarHBondContact O-N 3.2Å; A535-T537 PolarHBondContact O-N 3.02Å | ||
| 536 | K | 29.3 | Very low | 26.9 | Very low | 208 Ų | 208 | 143.9 Ų | 143.9 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | -83.7 | 108.9 | 179.3 | -71.6 | 177.4 | 177.4 | 172.7 | 0 | 112.1 | C534 | C534-K536 PolarHBondContact O-N 3.44Š| ||
| 537 | T | 22.4 | Very low | 27 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | -143.4 | 110 | 160 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | A535 | A535-T537 PolarHBondContact O-N 3.02Š| ||
| 538 | T | 24.3 | Very low | 27.1 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | 43.3 | 132.8 | 126.4 | -19.9 | 0 | 0 | 0 | 0 | 118 | |||||
| 539 | T | 24.2 | Very low | 27.3 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | -176.7 | 151 | 67.8 | -50.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 540 | R | 23 | Very low | 27.1 | Very low | 209 Ų | 209 | 136.4 Ų | 136.4 | 79% | 0.789 | 76% | 0.759 | S | S | * | * | trans | 100.9 | 95.4 | 148 | -145.3 | 172.7 | -174.4 | -175.8 | -0.9 | 120.4 | E542 | R540-E542 IonicContact CZ-OE1 3.18Å; R540-E542 IonicContact NE-OE1 2.83Å; R540-E542 PolarHBondContact NE-OE1 3.49Å; R540-E542 IonicContact NH2-OE1 3.82Å; R540-E542 PolarHBondContact NH2-OE1 3.49Å | ||
| 541 | G | 25.2 | Very low | 26.9 | Very low | 78 Ų | 78 | 140.6 Ų | 140.6 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -145.3 | 141.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 542 | E | 23.2 | Very low | 27 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 65% | 0.645 | 75% | 0.754 | S | S | * | * | trans | -111.2 | 135.9 | -161.7 | -72.3 | 176.3 | -168.9 | 0 | 0 | 115.4 | R540 | R540-E542 IonicContact CZ-OE1 3.18Å; R540-E542 IonicContact NE-OE1 2.83Å; R540-E542 PolarHBondContact NE-OE1 3.49Å; R540-E542 IonicContact NH2-OE1 3.82Å; R540-E542 PolarHBondContact NH2-OE1 3.49Å | ||
| 543 | C | 24 | Very low | 27 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | trans | 71.2 | 162 | 153 | -93.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 544 | P | 43.6 | Very low | 27.3 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | cis | -132.5 | 164.9 | 1.3 | 38.9 | -22.4 | 0 | 0 | 0 | 117.8 | ||||
| 545 | R | 25.2 | Very low | 28 | Very low | 218 Ų | 218 | 139.9 Ų | 139.9 | 82% | 0.823 | 74% | 0.739 | S | S | * | * | trans | 75.4 | 103 | 148.4 | -80.6 | -171.5 | 167.2 | -161.2 | -2 | 122.4 | ||||
| 546 | K | 26.9 | Very low | 28.2 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | 100.6 | 127.1 | 105.7 | -86.2 | -172.7 | 143.4 | -69.1 | 0 | 122.4 | |||||
| 547 | D | 27.8 | Very low | 28.6 | Very low | 116 Ų | 116 | 138 Ų | 138 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | trans | 67.1 | 139.3 | 141.1 | -47.9 | -16 | 0 | 0 | 0 | 120.4 | ||||
| 548 | S | 29.9 | Very low | 28.8 | Very low | 81 Ų | 81 | 140.1 Ų | 140.1 | 57% | 0.566 | 73% | 0.731 | S | S | * | * | cis | -170.9 | 128.4 | -18.5 | -88.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 549 | H | 31.2 | Very low | 29.1 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 80% | 0.801 | 74% | 0.735 | S | S | * | * | trans | 64.9 | 169.9 | 153.7 | -48.6 | -43 | 0 | 0 | 0 | 118.3 | ||||
| 550 | L | 29.7 | Very low | 29.2 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | cis | -154.9 | 121.3 | 16.3 | -170.9 | 78.7 | 0 | 0 | 0 | 114.5 | ||||
| 551 | W | 27.2 | Very low | 29.4 | Very low | 204 Ų | 204 | 142.3 Ų | 142.3 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | 44.8 | -155.9 | 162.6 | -68.8 | 78.8 | 0 | 0 | 0 | 116.7 | ||||
| 552 | Q | 29.6 | Very low | 29.5 | Very low | 146 Ų | 146 | 146.5 Ų | 146.5 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | cis | -163.3 | 149.6 | -4 | -139.7 | 136.1 | 37.1 | 0 | 0 | 107.8 | ||||
| 553 | L | 26 | Very low | 29.7 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | cis | -158.2 | -164.4 | -9.7 | -132.8 | 179 | 0 | 0 | 0 | 109.2 | ||||
| 554 | L | 30.8 | Very low | 29.9 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | trans | -133.1 | 169.8 | 171.2 | -139.9 | 157.3 | 0 | 0 | 0 | 108.2 | ||||
| 555 | P | 40.8 | Very low | 29 | Very low | 121 Ų | 121 | 150.5 Ų | 150.5 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | -151 | 150 | 116.6 | 36.7 | -19.8 | 0 | 0 | 0 | 117.3 | |||||
| 556 | M | 28.8 | Very low | 29.6 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 70% | 0.704 | 74% | 0.738 | S | S | * | * | trans | -85.4 | 156.6 | 161.1 | -84.9 | -80.4 | -67.9 | 0 | 0 | 111.4 | ||||
| 557 | P | 37.4 | Very low | 29.7 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -93.5 | 130.3 | 156.6 | 34.1 | -27.2 | 0 | 0 | 0 | 111.6 | ||||
| 558 | H | 26.8 | Very low | 29.7 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | trans | -110.7 | 151.4 | 160.4 | -99.3 | -92.2 | 0 | 0 | 0 | 109.1 | ||||
| 559 | A | 29.3 | Very low | 29.5 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | -140.2 | 135.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 560 | E | 27.1 | Very low | 29.5 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -117.6 | 131.9 | -174 | -58.2 | 177.9 | 130.1 | 0 | 0 | 110.8 | ||||
| 561 | Y | 27.4 | Very low | 29.6 | Very low | 221 Ų | 221 | 143.6 Ų | 143.6 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | trans | -175.7 | 152.9 | 147.1 | 87.7 | -82.2 | 0 | 0 | 0 | 107.5 | ||||
| 562 | E | 26.9 | Very low | 29.6 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | cis | -160.9 | 172.4 | -26.2 | -134.2 | -167.7 | 147.6 | 0 | 0 | 108.5 | ||||
| 563 | V | 28 | Very low | 29.5 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | trans | 62.9 | 104.1 | 149.1 | 174.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 564 | T | 26.9 | Very low | 29.6 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | 82.3 | 126.9 | 135.8 | -59 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 565 | R | 25.1 | Very low | 30.2 | Very low | 218 Ų | 218 | 143.8 Ų | 143.8 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | trans | -95.2 | 139.9 | 168.5 | -165.3 | -154.2 | -67.9 | 141 | -4.3 | 109.8 | ||||
| 566 | P | 39 | Very low | 29.8 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | -123.3 | 153 | 97.9 | -1.4 | 23.3 | 0 | 0 | 0 | 112.3 | |||||
| 567 | T | 28.2 | Very low | 29.7 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | 61 | 130.7 | 68.3 | -18.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 568 | A | 27.7 | Very low | 29.1 | Very low | 82 Ų | 82 | 144.4 Ų | 144.4 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | cis | -153.5 | 159.4 | 25.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 569 | T | 26.2 | Very low | 29.2 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | 0.8 | 139.1 | 148.1 | 57.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 570 | S | 31.6 | Very low | 29.1 | Very low | 121 Ų | 121 | 145 Ų | 145 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | -146.1 | 166.9 | 125.8 | -162.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 571 | K | 30.5 | Very low | 29.2 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | trans | -127.8 | 170.3 | 178.4 | -82.4 | -168.9 | 171 | -168 | 0 | 110.3 | ||||
| 572 | Y | 26.4 | Very low | 29.1 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 73% | 0.729 | 76% | 0.756 | S | S | * | * | trans | 74.2 | 146.7 | 164.6 | -63 | -68.3 | 0 | 0 | 0 | 114.5 | ||||
| 573 | D | 28.5 | Very low | 29.1 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | cis | -133.6 | 162.9 | 14.6 | -92.3 | -57 | 0 | 0 | 0 | 115.2 | ||||
| 574 | H | 28.5 | Very low | 29.1 | Very low | 184 Ų | 184 | 139 Ų | 139 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | -106.3 | 138.5 | 149 | -73.1 | -37.7 | 0 | 0 | 0 | 107.7 | ||||
| 575 | P | 43.3 | Very low | 29.1 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | -135.9 | 137.4 | 102.4 | 11.5 | 10.8 | 0 | 0 | 0 | 112 | |||||
| 576 | L | 31 | Very low | 29.3 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | 82.2 | 115.3 | 66.8 | -174 | 74.7 | 0 | 0 | 0 | 113.4 | |||||
| 577 | G | 27 | Very low | 28.7 | Very low | 63 Ų | 63 | 143.6 Ų | 143.6 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | 127.3 | 140 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 578 | F | 25.6 | Very low | 28.5 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | cis | -151.5 | 162.2 | -12.3 | -124.1 | -79.5 | 0 | 0 | 0 | 111.9 | ||||
| 579 | M | 28 | Very low | 28.5 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -60.4 | 148.8 | -174.8 | -41.1 | 168.7 | -53.3 | 0 | 0 | 114 | ||||
| 580 | V | 28.3 | Very low | 28.6 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -133 | 83.9 | 148.3 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 581 | T | 29.5 | Very low | 28.4 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 64% | 0.638 | 75% | 0.75 | S | S | * | * | trans | 26 | 108.5 | 142.4 | 55.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 582 | H | 24.6 | Very low | 28.4 | Very low | 190 Ų | 190 | 143.6 Ų | 143.6 | 88% | 0.88 | 75% | 0.747 | S | S | * | * | trans | -76.5 | 142.7 | 133.6 | -64.2 | -91.1 | 0 | 0 | 0 | 108.3 | ||||
| 583 | V | 28 | Very low | 28.7 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | trans | -106.5 | 126 | 168.2 | 175.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 584 | T | 27.6 | Very low | 28.8 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | trans | -113 | 125.8 | 170.8 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 585 | E | 26.1 | Very low | 28.9 | Very low | 188 Ų | 188 | 129.7 Ų | 129.7 | 88% | 0.879 | 70% | 0.702 | S | S | * | * | trans | -122.9 | 96.8 | 163.5 | -171 | 163.9 | -136 | 0 | 0 | 104.3 | ||||
| 586 | M | 29.1 | Very low | 28.2 | Very low | 165 Ų | 165 | 129 Ų | 129 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | 72.3 | 91.1 | 62.3 | -169.5 | -177.5 | 168.9 | 0 | 0 | 112.8 | |||||
| 587 | Q | 26 | Very low | 28 | Very low | 198 Ų | 198 | 125.1 Ų | 125.1 | 93% | 0.925 | 70% | 0.704 | S | S | * | * | trans | -155.3 | 122.1 | 136.4 | -129.1 | 172.3 | 91.3 | 0 | 0 | 110.5 | ||||
| 588 | D | 25.2 | Very low | 27.9 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | trans | -156.6 | 142.7 | 148.2 | -163.7 | 7.9 | 0 | 0 | 0 | 110.9 | ||||
| 589 | S | 28.3 | Very low | 27.9 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | trans | 55.3 | 139.8 | 161.8 | 67.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 590 | F | 27 | Very low | 27.7 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 56% | 0.557 | 71% | 0.713 | S | S | * | * | trans | -85.5 | -176.8 | -174.5 | -86.8 | -109.7 | 0 | 0 | 0 | 114.2 | L518 E519 | L518-F590 HydrophobicContact CD1-CD2 4.01Å; L518-F590 HydrophobicContact CD1-CE2 3.85Å; L518-F590 HydrophobicContact CD1-CZ 4.23Å; E519-F590 HydrophobicContact CG-CD1 4.34Å; E519-F590 WeakPolarHBondContact OE1-CD1 3.32Å | ||
| 591 | V | 28.3 | Very low | 27.7 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 48% | 0.479 | 72% | 0.715 | S | S | . | * | trans | 95.2 | 94.2 | 156.7 | -172.8 | 0 | 0 | 0 | 0 | 117 | A520 | A520-V591 HydrophobicContact CB-CB 4.26Å; A520-V591 HydrophobicContact CB-CG1 3.75Å; A520-V591 HydrophobicContact CB-CG2 4.05Å | ||
| 592 | R | 30.3 | Very low | 27.5 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | trans | -100.3 | 145.1 | 148.2 | -166.3 | -142.9 | 173.1 | -152.7 | -8.3 | 108.5 | A520 E594 | A520-R592 WeakPolarHBondContact CB-O 3.44Å; R592-E594 IonicContact CZ-OE1 2.71Å; R592-E594 IonicContact CZ-OE2 3.38Å; R592-E594 IonicContact NH1-OE1 2.6Å; R592-E594 PolarHBondContact NH1-OE1 3.47Å; R592-E594 IonicContact NH1-OE2 3.69Å; R592-E594 PolarHBondContact NH1-OE2 3Å; R592-E594 IonicContact NH2-OE1 3.82Å; R592-E594 PolarHBondContact NH2-OE1 3.03Å; R592-E594 IonicContact NH2-OE2 3.87Å | ||
| 593 | P | 33.1 | Very low | 27.6 | Very low | 31 Ų | 31 | 130 Ų | 130 | 20% | 0.201 | 71% | 0.712 | C | S | . | * | -137.5 | -173.9 | 109.5 | 13.4 | 9.7 | 0 | 0 | 0 | 111.3 | M521 E522 | M521-P593 VanDerWaalsContact CA-CG 3.5Å; M521-P593 HydrophobicContact CB-CG 3.95Å; M521-P593 HydrophobicContact CE-CB 3.88Å; M521-P593 HydrophobicContact CE-CG 3.64Å; M521-P593 HydrophobicContact CG-CG 3.66Å; M521-P593 HydrophobicContact SD-CG 4.45Å; E522-P593 HydrophobicContact CB-CG 4.19Å; E522-P593 HydrophobicContact CG-CG 4.28Å; E522-P593 VanDerWaalsContact N-CG 3.34Å; E522-P593 VanDerWaalsContact OE2-C 3.3Å; E522-P593 WeakPolarHBondContact OE2-CB 3.48Å | |||
| 594 | E | 30.9 | Very low | 27.5 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 60% | 0.603 | 71% | 0.705 | S | S | * | * | cis | 100.7 | 45.8 | 5.4 | -155.5 | 117 | -90.7 | 0 | 0 | 119.2 | E522 R592 | E522-E594 PolarHBondContact OE1-N 3.34Å; E522-E594 PolarHBondContact OE2-N 3.23Å; R592-E594 IonicContact CZ-OE1 2.71Å; R592-E594 IonicContact CZ-OE2 3.38Å; R592-E594 IonicContact NH1-OE1 2.6Å; R592-E594 PolarHBondContact NH1-OE1 3.47Å; R592-E594 IonicContact NH1-OE2 3.69Å; R592-E594 PolarHBondContact NH1-OE2 3Å; R592-E594 IonicContact NH2-OE1 3.82Å; R592-E594 PolarHBondContact NH2-OE1 3.03Å; R592-E594 IonicContact NH2-OE2 3.87Å | ||
| 595 | G | 30 | Very low | 27.4 | Very low | 55 Ų | 55 | 130.8 Ų | 130.8 | 57% | 0.567 | 70% | 0.702 | S | S | * | * | trans | -109.4 | 35.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | E522 | E522-G595 PolarHBondContact OE1-N 2.94Å; E522-G595 VanDerWaalsContact OE2-CA 3.31Å; E522-G595 WeakPolarHBondContact OE2-CA 3.44Å; E522-G595 PolarHBondContact OE2-N 2.92Å | ||
| 596 | A | 27.8 | Very low | 27.4 | Very low | 103 Ų | 103 | 126 Ų | 126 | 85% | 0.851 | 69% | 0.69 | S | S | * | * | trans | -0.7 | 126.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 597 | G | 26.7 | Very low | 27.4 | Very low | 75 Ų | 75 | 124.6 Ų | 124.6 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | trans | -158 | 85.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 598 | K | 24.7 | Very low | 27.2 | Very low | 201 Ų | 201 | 124.8 Ų | 124.8 | 87% | 0.874 | 67% | 0.673 | S | S | * | * | trans | 48.1 | 109.8 | 156.1 | -74.4 | 175.7 | 179.8 | 170.8 | 0 | 119.4 | ||||
| 599 | V | 27.2 | Very low | 27.3 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 75% | 0.745 | 67% | 0.67 | S | S | * | * | 77.1 | 107.9 | 84.1 | 169.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 600 | Q | 24 | Very low | 28.1 | Very low | 145 Ų | 145 | 124 Ų | 124 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | trans | 41.7 | 122.9 | 147.1 | -62.7 | 179.7 | -33.9 | 0 | 0 | 121.1 | H602 | Q600-H602 PolarHBondContact NE2-NE2 2.89Š| ||
| 601 | S | 26.5 | Very low | 28.2 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | -138 | 133 | 117.9 | 66.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 602 | H | 25.8 | Very low | 28.2 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 73% | 0.731 | 70% | 0.704 | S | S | * | * | trans | -84.4 | 169.8 | 180 | -67.9 | -103.2 | 0 | 0 | 0 | 112.5 | Q600 | Q600-H602 PolarHBondContact NE2-NE2 2.89Š| ||
| 603 | H | 27.5 | Very low | 28 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | trans | 117.6 | 134.7 | 130.1 | -89 | -65.8 | 0 | 0 | 0 | 119.5 | ||||
| 604 | N | 25.7 | Very low | 27.9 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | trans | 76.6 | 145.9 | 140.4 | -71.5 | 6.3 | 0 | 0 | 0 | 119.6 | ||||
| 605 | E | 24.6 | Very low | 27.8 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | cis | -170 | 174.1 | -28.3 | -135.7 | -173.8 | 164.3 | 0 | 0 | 108.4 | ||||
| 606 | S | 27 | Very low | 27.8 | Very low | 88 Ų | 88 | 136.8 Ų | 136.8 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | trans | 68.9 | 145.8 | 163.4 | -72.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 607 | Q | 28 | Very low | 27.9 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 63% | 0.631 | 75% | 0.748 | S | S | * | * | cis | -158.5 | 153.5 | -10.9 | -123.4 | 173.4 | 78.9 | 0 | 0 | 111.8 | ||||
| 608 | R | 23.5 | Very low | 28.4 | Very low | 202 Ų | 202 | 140.7 Ų | 140.7 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | 51.7 | 106.4 | 146.1 | -77.9 | 175.7 | 169.7 | 140.5 | -9.3 | 120.2 | ||||
| 609 | S | 26.9 | Very low | 28.7 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | 47.2 | 165.9 | 95.2 | 77.9 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 610 | P | 44.7 | Very low | 29.2 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 84% | 0.844 | 73% | 0.733 | S | S | * | * | cis | -127.6 | -167.9 | 0.7 | 39.3 | -21 | 0 | 0 | 0 | 113 | ||||
| 611 | G | 28.3 | Very low | 29.6 | Very low | 74 Ų | 74 | 140.1 Ų | 140.1 | 76% | 0.763 | 74% | 0.735 | S | S | * | * | trans | 177.9 | 4.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 612 | N | 29.3 | Very low | 29.9 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | trans | -75.4 | 138.2 | 169.4 | -71.9 | -10.1 | 0 | 0 | 0 | 110.1 | ||||
| 613 | D | 26.8 | Very low | 30.1 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | trans | 168.8 | 119.4 | 130.7 | -90.5 | -18 | 0 | 0 | 0 | 111.6 | ||||
| 614 | H | 30.7 | Very low | 30.5 | Very low | 187 Ų | 187 | 135.9 Ų | 135.9 | 87% | 0.866 | 73% | 0.726 | S | S | * | * | -166.1 | 138.7 | 111.8 | -105.3 | 30 | 0 | 0 | 0 | 112.6 | |||||
| 615 | T | 27.3 | Very low | 30.7 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -102.1 | -172 | 177.3 | 51.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 616 | Q | 29.9 | Very low | 30.7 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | 82.7 | 117.5 | 169.2 | -73.3 | -172.2 | -16.9 | 0 | 0 | 116 | ||||
| 617 | D | 30.6 | Very low | 31.7 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 60% | 0.599 | 74% | 0.744 | S | S | * | * | 84.9 | 115.2 | 66.2 | -176.1 | 50.9 | 0 | 0 | 0 | 109.4 | |||||
| 618 | K | 37.4 | Very low | 31.7 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | -161.6 | 140.1 | 85.8 | -95.8 | 165.9 | -178.6 | 150 | 0 | 117.8 | |||||
| 619 | F | 30.9 | Very low | 31.9 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 74.1 | 133 | 150.3 | -56 | -33.3 | 0 | 0 | 0 | 119 | ||||
| 620 | L | 36.8 | Very low | 31.9 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | cis | -158.7 | 128.9 | -0.9 | -110.2 | 171.4 | 0 | 0 | 0 | 115.1 | ||||
| 621 | H | 32.6 | Very low | 31 | Very low | 155 Ų | 155 | 144 Ų | 144 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | trans | 82.1 | 138 | 135.4 | -128.8 | -45.6 | 0 | 0 | 0 | 125.9 | ||||
| 622 | V | 32.5 | Very low | 30.8 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | trans | 97.9 | 78.8 | 154.1 | -160.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 623 | D | 31.3 | Very low | 30.6 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | 55.4 | 130.8 | 117.6 | -63.2 | -45.4 | 0 | 0 | 0 | 127.3 | |||||
| 624 | S | 35.3 | Very low | 30.6 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 104.6 | 102.9 | 129.6 | -70.8 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 625 | E | 30.1 | Very low | 30.3 | Very low | 203 Ų | 203 | 140.3 Ų | 140.3 | 95% | 0.949 | 75% | 0.745 | S | S | * | * | trans | 74.6 | 167.5 | 134.1 | -145.6 | 152.1 | -166.1 | 0 | 0 | 121.2 | ||||
| 626 | A | 25.4 | Very low | 30.2 | Very low | 85 Ų | 85 | 139.8 Ų | 139.8 | 70% | 0.702 | 75% | 0.745 | S | S | * | * | trans | -116.4 | -163.3 | -159 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 627 | P | 46.4 | Very low | 31 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | cis | -146.6 | 179.5 | 1.7 | 45.9 | -26.9 | 0 | 0 | 0 | 118.6 | ||||
| 628 | R | 28 | Very low | 30.7 | Very low | 217 Ų | 217 | 139.4 Ų | 139.4 | 82% | 0.819 | 75% | 0.749 | S | S | * | * | trans | 67.3 | 171.1 | 143.4 | -72.3 | -103.3 | -73 | -126.3 | -3 | 121.5 | ||||
| 629 | E | 27.6 | Very low | 30.2 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | 70.7 | 158.4 | 168.2 | -73.9 | 160.2 | -143.6 | 0 | 0 | 117.9 | ||||
| 630 | E | 27.7 | Very low | 29.9 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | cis | -162.9 | 161.8 | -44.3 | -140.2 | 171.9 | -167 | 0 | 0 | 109.8 | ||||
| 631 | E | 26.2 | Very low | 29.5 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 52.8 | -174.3 | 163.2 | -67.1 | -155.7 | 166.5 | 0 | 0 | 119.3 | ||||
| 632 | S | 24.2 | Very low | 29.2 | Very low | 82 Ų | 82 | 137 Ų | 137 | 57% | 0.573 | 76% | 0.763 | S | S | * | * | cis | 161.9 | 148.1 | -46.4 | 99.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 633 | S | 24.3 | Very low | 28.8 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | 67.3 | 170.1 | 167.1 | 86.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 634 | G | 26.6 | Very low | 28.6 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | 110.7 | 119.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 635 | F | 25.3 | Very low | 28.2 | Very low | 205 Ų | 205 | 142 Ų | 142 | 90% | 0.899 | 78% | 0.78 | S | S | * | * | trans | -101.7 | 151.3 | 174.2 | -105.2 | -89.3 | 0 | 0 | 0 | 112 | ||||
| 636 | C | 24.1 | Very low | 29 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | 70.9 | 159 | 155.5 | -73.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 637 | P | 46.8 | Very low | 29.1 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | cis | -141.6 | 174.1 | -29.4 | 38.1 | -20.7 | 0 | 0 | 0 | 115.7 | ||||
| 638 | H | 24.9 | Very low | 28.2 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | 72.2 | 112.6 | 143.7 | -109.6 | -73.7 | 0 | 0 | 0 | 123.1 | ||||
| 639 | T | 26.5 | Very low | 28.1 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 61% | 0.607 | 77% | 0.769 | S | S | * | * | trans | 65.5 | 117.1 | 138.9 | 37.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 640 | N | 26 | Very low | 28 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 91.1 | 130.6 | 130.2 | -65.8 | -7.8 | 0 | 0 | 0 | 120.9 | ||||
| 641 | H | 27.7 | Very low | 28 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -65.7 | 142.7 | 173.8 | -56.5 | -101.8 | 0 | 0 | 0 | 112.4 | ||||
| 642 | S | 26.4 | Very low | 27.8 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | -169 | 137.5 | 116 | -81.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 643 | L | 23.8 | Very low | 27.9 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -122.6 | 105.9 | 162.2 | -92.5 | 176.3 | 0 | 0 | 0 | 108.8 | ||||
| 644 | L | 28 | Very low | 28.8 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 93% | 0.927 | 77% | 0.768 | S | S | * | * | trans | -139.2 | 111.3 | 148 | -78.6 | -175.3 | 0 | 0 | 0 | 109.9 | ||||
| 645 | V | 25.5 | Very low | 28.9 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | -73.6 | 153.9 | 162.7 | 153.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 646 | P | 47 | Very low | 28.9 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | cis | -143.4 | 168.9 | 42.9 | 19.9 | 8.3 | 0 | 0 | 0 | 121.1 | ||||
| 647 | E | 27.7 | Very low | 29 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | trans | 71.9 | 107.9 | 136.4 | -73.8 | 172.7 | 152 | 0 | 0 | 124.9 | ||||
| 648 | S | 28.1 | Very low | 28 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | 104.4 | 130.3 | 110.1 | 76 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 649 | S | 25.1 | Very low | 28 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | 67.2 | 153.7 | 152.4 | 74.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 650 | S | 26.4 | Very low | 28.2 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | cis | -169.9 | 141.8 | -28.2 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 651 | Q | 27 | Very low | 29.3 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | 72.1 | 146.5 | 146.9 | -74.3 | -179.1 | -12.1 | 0 | 0 | 124 | ||||
| 652 | C | 21.5 | Very low | 29.1 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 72% | 0.716 | 76% | 0.764 | S | S | * | * | trans | 70.9 | 121.4 | 158 | -65.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 653 | I | 26.9 | Very low | 29.2 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | cis | 73.8 | 134 | 29.5 | -50.1 | 172.1 | 0 | 0 | 0 | 112.5 | ||||
| 654 | P | 44.3 | Very low | 29.3 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | cis | -137.1 | 175.8 | -7.8 | 36.5 | -17.1 | 0 | 0 | 0 | 118.1 | ||||
| 655 | K | 27.7 | Very low | 29.1 | Very low | 198 Ų | 198 | 133.7 Ų | 133.7 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | 53.8 | 122.5 | 141.9 | -75 | 171.7 | 179.3 | -178 | 0 | 122.3 | ||||
| 656 | H | 25 | Very low | 29.3 | Very low | 191 Ų | 191 | 134.8 Ų | 134.8 | 88% | 0.884 | 74% | 0.743 | S | S | * | * | -151.5 | 172.2 | 123 | -133.6 | -88.8 | 0 | 0 | 0 | 112.2 | |||||
| 657 | S | 26.7 | Very low | 28.4 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 51% | 0.51 | 74% | 0.744 | S | S | . | * | trans | -129.4 | 167.8 | -173.1 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 658 | E | 25.3 | Very low | 28.5 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | trans | 69.3 | 162.3 | 157.2 | -71.1 | 160.1 | 134.5 | 0 | 0 | 116.5 | ||||
| 659 | I | 25.5 | Very low | 28.5 | Very low | 146 Ų | 146 | 135 Ų | 135 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | cis | -155.1 | 165.5 | 1.8 | -129.6 | 159.6 | 0 | 0 | 0 | 110.4 | ||||
| 660 | T | 30.9 | Very low | 28.7 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | trans | -110.7 | 149 | 159 | 41.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 661 | P | 49.2 | Very low | 28.9 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | -160.5 | -171.6 | 53.8 | 43.7 | -21.1 | 0 | 0 | 0 | 119.4 | |||||
| 662 | Y | 24.1 | Very low | 28.9 | Very low | 221 Ų | 221 | 140 Ų | 140 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | trans | 78 | 130.4 | 144.7 | -97.3 | -69.5 | 0 | 0 | 0 | 124.9 | ||||
| 663 | A | 26.8 | Very low | 29.1 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | trans | 98.7 | 129.6 | 133.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 664 | T | 25.9 | Very low | 29.3 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 68.3 | 140.8 | 153.8 | 31.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 665 | D | 25.3 | Very low | 29.4 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | cis | -156 | 162.9 | -3.1 | -150.8 | 1.8 | 0 | 0 | 0 | 115.4 | ||||
| 666 | L | 29.1 | Very low | 29.3 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | 59.9 | 128.8 | 149.8 | -122.6 | 78.1 | 0 | 0 | 0 | 124.9 | ||||
| 667 | A | 27.5 | Very low | 29.3 | Very low | 82 Ų | 82 | 137.1 Ų | 137.1 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | 71 | 148.8 | 141.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 668 | Q | 30.6 | Very low | 29.3 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | cis | -156.3 | 147.9 | -6 | -127.5 | 171 | -7.2 | 0 | 0 | 111.7 | ||||
| 669 | T | 26.7 | Very low | 29.3 | Very low | 125 Ų | 125 | 141 Ų | 141 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | trans | 21.2 | 144.5 | 148.7 | 53.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 670 | S | 29.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | cis | -154 | 143.4 | 26.2 | 58.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 671 | E | 30.1 | Very low | 29.9 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | -97.2 | 164.9 | 154.2 | -53.2 | 174.2 | 127.4 | 0 | 0 | 110.7 | ||||
| 672 | K | 27.2 | Very low | 28.8 | Very low | 213 Ų | 213 | 140.3 Ų | 140.3 | 93% | 0.926 | 76% | 0.761 | S | S | * | * | trans | -157.2 | 167.2 | 132.8 | -126.2 | 178.6 | 179.9 | 178.8 | 0 | 114.2 | ||||
| 673 | L | 26.2 | Very low | 28.9 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | trans | -123.7 | 164.2 | -154.3 | -70.5 | 156.5 | 0 | 0 | 0 | 114 | ||||
| 674 | I | 32 | Very low | 29.7 | Very low | 151 Ų | 151 | 139 Ų | 139 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | trans | -34.3 | 174.6 | 150.7 | 21.1 | 171.7 | 0 | 0 | 0 | 115.6 | ||||
| 675 | P | 45.3 | Very low | 29.9 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 60% | 0.604 | 76% | 0.756 | S | S | * | * | cis | -142.3 | -166 | 2.5 | 21 | 8.2 | 0 | 0 | 0 | 116.4 | ||||
| 676 | H | 25.1 | Very low | 30.1 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | 117 | 109.5 | 141.8 | -73 | -62.7 | 0 | 0 | 0 | 122.7 | ||||
| 677 | L | 26.1 | Very low | 30.1 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | 52.5 | 123.9 | 116.6 | -124.2 | 80.7 | 0 | 0 | 0 | 123.9 | |||||
| 678 | H | 25.8 | Very low | 30.2 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | trans | 92.8 | 128.8 | 130.4 | -140.6 | -29 | 0 | 0 | 0 | 122 | ||||
| 679 | K | 26.3 | Very low | 30 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | trans | 109.6 | 119.1 | 133.5 | -127.3 | 153 | -170.3 | 169.8 | 0 | 120 | ||||
| 680 | L | 30.6 | Very low | 30 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -54.8 | 174.1 | 150 | -104.4 | 84.1 | 0 | 0 | 0 | 112.1 | ||||
| 681 | P | 39 | Very low | 29.9 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | cis | -141.4 | -173.9 | 26.5 | 42.5 | -23.6 | 0 | 0 | 0 | 116.4 | ||||
| 682 | G | 25 | Very low | 29.7 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | trans | 162.1 | 55.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 683 | D | 26.9 | Very low | 29.7 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -92.9 | 161.5 | 154.7 | -137.1 | 3.2 | 0 | 0 | 0 | 107.4 | ||||
| 684 | P | 43.7 | Very low | 29.8 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | cis | -145.6 | 175 | 38.8 | 37.5 | -14.5 | 0 | 0 | 0 | 118.1 | ||||
| 685 | A | 30.3 | Very low | 29.4 | Very low | 73 Ų | 73 | 132.4 Ų | 132.4 | 60% | 0.603 | 76% | 0.757 | S | S | * | * | 140.4 | 130.4 | 105.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 686 | Q | 29.7 | Very low | 28.6 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | 72.9 | 146.9 | 148.3 | -49.6 | -114 | 18.7 | 0 | 0 | 116.8 | ||||
| 687 | V | 28.4 | Very low | 28.7 | Very low | 100 Ų | 100 | 136 Ų | 136 | 61% | 0.606 | 77% | 0.77 | S | S | * | * | cis | -159.1 | 150.8 | -0.7 | 91.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 688 | K | 29.3 | Very low | 28.7 | Very low | 189 Ų | 189 | 136.7 Ų | 136.7 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 30.8 | 152.8 | 150.1 | -69.7 | 167.8 | -174.8 | 175.3 | 0 | 122.5 | ||||
| 689 | S | 25.7 | Very low | 29.3 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | cis | -178.2 | 144.2 | -13.4 | 54.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 690 | R | 28.2 | Very low | 29.1 | Very low | 236 Ų | 236 | 130.3 Ų | 130.3 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | 59.1 | 112.9 | 132.2 | -168.1 | 174.2 | -167.7 | -162.7 | 4.5 | 122 | ||||
| 691 | S | 26.4 | Very low | 28.8 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 78.1 | 126.1 | 135.3 | -168.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 692 | G | 26.2 | Very low | 28.2 | Very low | 59 Ų | 59 | 131.2 Ų | 131.2 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | 129.3 | 117.7 | 107.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 693 | T | 27.4 | Very low | 28.2 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | 80.8 | 114.1 | 133 | -48.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 694 | L | 27.5 | Very low | 28.1 | Very low | 167 Ų | 167 | 132.9 Ų | 132.9 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | 42.3 | 122.8 | 139.2 | -160.2 | 74.4 | 0 | 0 | 0 | 121.1 | ||||
| 695 | G | 25.5 | Very low | 27.3 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -153.7 | 142.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 696 | Q | 28.7 | Very low | 27 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -109.1 | 177.2 | 179.9 | -90.9 | -81.9 | 18.2 | 0 | 0 | 111 | ||||
| 697 | I | 26.2 | Very low | 26.9 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | trans | 98.8 | 124.4 | 165.4 | -54.9 | 164.2 | 0 | 0 | 0 | 116.3 | ||||
| 698 | L | 27.1 | Very low | 26.9 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -100.4 | 141.4 | 166.9 | -162.5 | 81.5 | 0 | 0 | 0 | 108.1 | ||||
| 699 | P | 36.6 | Very low | 27.2 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | -154.4 | 149.9 | 103.7 | 37.1 | -18.9 | 0 | 0 | 0 | 116.9 | |||||
| 700 | G | 22.5 | Very low | 27.3 | Very low | 63 Ų | 63 | 134.9 Ų | 134.9 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | 111.4 | 141.3 | 134 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 701 | T | 25 | Very low | 27.5 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | trans | 68.9 | 104.7 | 154 | 36 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 702 | E | 25.5 | Very low | 27.7 | Very low | 180 Ų | 180 | 130.7 Ų | 130.7 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | 73 | 163.2 | 126.8 | -68.5 | 174.8 | -163.1 | 0 | 0 | 122.1 | |||||
| 703 | A | 26 | Very low | 27.8 | Very low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | 70.4 | 149.2 | 178 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 704 | E | 25.4 | Very low | 27.9 | Very low | 173 Ų | 173 | 130 Ų | 130 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | cis | -167.4 | 162.2 | -27.5 | -153.3 | 176.4 | 179.8 | 0 | 0 | 109 | ||||
| 705 | M | 26 | Very low | 28 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 67% | 0.665 | 76% | 0.761 | S | S | * | * | trans | 62.8 | 109.6 | 148.5 | -136.9 | 160.2 | -170.9 | 0 | 0 | 123.4 | ||||
| 706 | E | 24.7 | Very low | 28.3 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | 49.2 | 160.7 | 129.8 | -55.4 | 180 | 168.1 | 0 | 0 | 126 | |||||
| 707 | N | 26.5 | Very low | 28.4 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 67% | 0.674 | 77% | 0.768 | S | S | * | * | trans | 94.4 | 86.9 | 145.5 | -63.5 | -50.3 | 0 | 0 | 0 | 121.5 | ||||
| 708 | L | 28.6 | Very low | 28.6 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | 25 | 141.7 | 106.9 | -77.8 | 174.2 | 0 | 0 | 0 | 119.2 | L710 | L708-L710 HydrophobicContact CD2-CD1 3.96Š| |||
| 709 | P | 35.4 | Very low | 28.6 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | -149.6 | 167.5 | 68.4 | 41.1 | -22.5 | 0 | 0 | 0 | 120.4 | |||||
| 710 | L | 28.6 | Very low | 28.2 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | -46.6 | 167.1 | 157 | -80.8 | 58.8 | 0 | 0 | 0 | 113.4 | L708 | L708-L710 HydrophobicContact CD2-CD1 3.96Š| ||
| 711 | N | 32.2 | Very low | 28.5 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 69% | 0.69 | 78% | 0.782 | S | S | * | * | cis | -160.5 | 155.6 | -4.9 | -110.8 | -11.7 | 0 | 0 | 0 | 106.3 | ||||
| 712 | T | 29.9 | Very low | 28.5 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | 150.2 | 143.7 | 98.5 | -43.1 | 0 | 0 | 0 | 0 | 105.1 | |||||
| 713 | G | 29.3 | Very low | 28.6 | Very low | 67 Ų | 67 | 139.2 Ų | 139.2 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | cis | 129.9 | 96.8 | 0.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 714 | S | 29.1 | Very low | 28.8 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -170.5 | 118.2 | 162.7 | 177.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 715 | S | 30 | Very low | 29 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -109 | 137.6 | 164.8 | -56.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 716 | R | 31.2 | Very low | 29.1 | Very low | 237 Ų | 237 | 139.6 Ų | 139.6 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -121.9 | 111.9 | 177.6 | -116.8 | -176.7 | 174.2 | -168.5 | -3.3 | 110.1 | ||||
| 717 | S | 29.8 | Very low | 29.4 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -76.1 | 142.4 | 168.3 | 48.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 718 | V | 30.4 | Very low | 29.5 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -86.6 | 141.8 | 171.7 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 719 | M | 28.9 | Very low | 29.3 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 86% | 0.862 | 82% | 0.818 | S | S | * | * | trans | -122.9 | 116.7 | 175 | -174.9 | -171.6 | -59.6 | 0 | 0 | 107.9 | Q721 | M719-Q721 PolarHBondContact O-N 3.45Š| ||
| 720 | T | 27.1 | Very low | 28.8 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -75.4 | 120.4 | 177.3 | 25.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 721 | Q | 28.7 | Very low | 28.8 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | -95.9 | 106.4 | -175.7 | -176.6 | 178.9 | 3.8 | 0 | 0 | 110.7 | M719 | M719-Q721 PolarHBondContact O-N 3.45Š| ||
| 722 | M | 24.6 | Very low | 28.3 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | trans | -79.7 | 130.5 | 166.2 | -71.3 | -70.1 | -80.1 | 0 | 0 | 109.8 | ||||
| 723 | S | 29.2 | Very low | 28.2 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | -107.5 | 109.8 | -178 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 724 | S | 29.1 | Very low | 28.1 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | trans | -119.1 | 102.5 | 168.5 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 725 | S | 29.6 | Very low | 28.1 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 83% | 0.832 | 84% | 0.842 | S | S | * | * | trans | -91.2 | 113.5 | 177.8 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 726 | L | 27.2 | Very low | 28 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 91% | 0.911 | 84% | 0.843 | S | S | * | * | trans | -150.5 | 152.9 | 153.2 | -114 | 171.2 | 0 | 0 | 0 | 110.8 | ||||
| 727 | V | 32.1 | Very low | 27.7 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 72% | 0.715 | 83% | 0.833 | S | S | * | * | trans | -106.6 | 139.4 | -163.8 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | A729 | V727-A729 HydrophobicContact CG1-CB 4.31Š| ||
| 728 | S | 27.5 | Very low | 27.6 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 88% | 0.881 | 84% | 0.837 | S | S | * | * | trans | -147.2 | 77.4 | 158.9 | -81.7 | 0 | 0 | 0 | 0 | 110.6 | A730 | S728-A730 PolarHBondContact O-N 3.35Š| ||
| 729 | A | 25.1 | Very low | 27.4 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -86.8 | 96 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V727 | V727-A729 HydrophobicContact CG1-CB 4.31Š| ||
| 730 | A | 25.6 | Very low | 28.3 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | trans | -117.9 | 99.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S728 | S728-A730 PolarHBondContact O-N 3.35Š| ||
| 731 | Q | 27.4 | Very low | 28.4 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | trans | 59.2 | 93.7 | 149.1 | -56.3 | 179.7 | 1.7 | 0 | 0 | 119.4 | ||||
| 732 | R | 23.1 | Very low | 28.3 | Very low | 257 Ų | 257 | 134.3 Ų | 134.3 | 97% | 0.97 | 83% | 0.827 | S | S | * | * | trans | -139.3 | 88.6 | 143.8 | -77.4 | -162.2 | -179.2 | -175.6 | 2.6 | 112.7 | ||||
| 733 | A | 27.3 | Very low | 28.5 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | trans | -155.6 | 154.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 734 | V | 27.9 | Very low | 28.2 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | cis | -154.4 | 143.9 | 43.1 | 162.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 735 | A | 27.3 | Very low | 28.1 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | trans | -167.1 | 142.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 736 | L | 29.2 | Very low | 28 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | cis | -158.7 | 147.3 | -0.1 | -158 | 86.5 | 0 | 0 | 0 | 110.9 | ||||
| 737 | G | 24.3 | Very low | 27.9 | Very low | 66 Ų | 66 | 134.9 Ų | 134.9 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | trans | 78.5 | 153.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 738 | T | 28.8 | Very low | 27.5 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 93% | 0.933 | 82% | 0.822 | S | S | * | * | cis | -157 | 149.9 | -5.7 | 2.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 739 | G | 25.6 | Very low | 27.4 | Very low | 73 Ų | 73 | 133.5 Ų | 133.5 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -87.6 | -152.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 740 | P | 47.7 | Very low | 27.4 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | cis | -142.7 | -164.3 | 12.1 | 44.5 | -24.8 | 0 | 0 | 0 | 116.8 | ||||
| 741 | R | 28.8 | Very low | 27.3 | Very low | 251 Ų | 251 | 137.1 Ų | 137.1 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | trans | 81.5 | 135 | -177.8 | -66.6 | -176.3 | 163.5 | -137 | -1.3 | 115.8 | ||||
| 742 | G | 26.9 | Very low | 28.2 | Very low | 63 Ų | 63 | 133.6 Ų | 133.6 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | cis | 165 | 148.2 | -11.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 743 | T | 27.9 | Very low | 28.3 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 92% | 0.92 | 80% | 0.8 | S | S | * | * | trans | 61.5 | 151.4 | 176.1 | 54 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 744 | S | 24 | Very low | 28.4 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | cis | -175.8 | 116.1 | -23 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 745 | L | 27.4 | Very low | 28.3 | Very low | 173 Ų | 173 | 126.8 Ų | 126.8 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -166.2 | 155.4 | 140.4 | -138.2 | 71.9 | 0 | 0 | 0 | 111.2 | ||||
| 746 | E | 26.6 | Very low | 28.3 | Very low | 163 Ų | 163 | 128 Ų | 128 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -98 | 153.9 | -179.6 | -63.1 | 167.6 | 93.8 | 0 | 0 | 112.1 | ||||
| 747 | C | 24.3 | Very low | 28.1 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 90% | 0.899 | 78% | 0.783 | S | S | * | * | -154 | 121.5 | 122.6 | -120.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 748 | T | 25.7 | Very low | 28.1 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | -62.9 | 167.9 | 177.3 | 46.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 749 | V | 24.2 | Very low | 27.8 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | cis | -164.2 | 154 | -8.8 | 124.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 750 | C | 24.8 | Very low | 27.9 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | -161.4 | 123.5 | 143.3 | -98.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 751 | D | 23.7 | Very low | 26.9 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -88 | 141.5 | -176.5 | -70 | -59 | 0 | 0 | 0 | 113.5 | ||
| 752 | P | 45.9 | Very low | 26.8 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 128.8 | 155.6 | 34.1 | -27.7 | 0 | 0 | 0 | 110.5 | ||
| 753 | V | 26.3 | Very low | 26.8 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 134.3 | 175 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 754 | T | 29.4 | Very low | 26.9 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | trans | -104.8 | -170.2 | -168.1 | 49.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 755 | A | 26.3 | Very low | 27.1 | Very low | 84 Ų | 84 | 141.1 Ų | 141.1 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | trans | 92.3 | 152 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 756 | T | 26.1 | Very low | 27.2 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | cis | -146.9 | 151.1 | 10.1 | -27.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 757 | E | 24.8 | Very low | 27.2 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | 6.4 | 138.3 | 155.4 | -63.3 | 175.3 | 120.8 | 0 | 0 | 123.6 | ||||
| 758 | T | 23.8 | Very low | 27.4 | Very low | 119 Ų | 119 | 141 Ų | 141 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | 33.2 | 146.4 | 128.3 | 84.4 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 759 | R | 24 | Very low | 27.4 | Very low | 221 Ų | 221 | 143.7 Ų | 143.7 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | cis | -175.8 | 154.4 | 42.3 | -155.9 | -176.3 | 175.4 | -173.6 | -0.3 | 111.9 | ||||
| 760 | L | 26.5 | Very low | 27.5 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 68.1 | 106.1 | 153 | -151 | 73 | 0 | 0 | 0 | 119.7 | ||||
| 761 | G | 26.5 | Very low | 27.6 | Very low | 76 Ų | 76 | 142.5 Ų | 142.5 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -166.4 | 145.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 762 | T | 28 | Very low | 27.7 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -120.5 | 148.8 | -164.7 | -50.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 763 | K | 27 | Very low | 26.8 | Very low | 212 Ų | 212 | 147 Ų | 147 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | trans | 76.6 | 143.8 | 174.7 | -89 | 179.1 | 176.1 | -179.7 | 0 | 116.8 | ||||
| 764 | A | 30 | Very low | 26.7 | Very low | 99 Ų | 99 | 147.2 Ų | 147.2 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -111.5 | 138.5 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 765 | R | 28.7 | Very low | 26.4 | Very low | 242 Ų | 242 | 146.1 Ų | 146.1 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | -175.7 | 143.5 | 160.2 | -94.2 | 177.9 | -174.9 | -168.6 | -1.3 | 104.4 | ||||
| 766 | Q | 28.5 | Very low | 26.2 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | cis | -166.2 | 125.7 | -9.4 | 167.6 | -175.8 | -2.9 | 0 | 0 | 106.2 | ||||
| 767 | L | 26.7 | Very low | 26.2 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 93% | 0.927 | 83% | 0.825 | S | S | * | * | trans | -146.1 | 142 | 165.6 | -74.4 | 178.9 | 0 | 0 | 0 | 107.5 | ||||
| 768 | N | 28 | Very low | 26 | Very low | 143 Ų | 143 | 147 Ų | 147 | 77% | 0.765 | 82% | 0.824 | S | S | * | * | trans | -120.5 | 140.7 | -175.6 | -69.9 | 2.4 | 0 | 0 | 0 | 110.6 | ||||
| 769 | D | 26.2 | Very low | 26.1 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | -89.4 | 147.4 | 165.4 | -66.8 | -60.2 | 0 | 0 | 0 | 111.7 | ||||
| 770 | A | 26.8 | Very low | 26.2 | Very low | 88 Ų | 88 | 148 Ų | 148 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | trans | 179.4 | 118.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 771 | S | 26.6 | Very low | 26.2 | Very low | 117 Ų | 117 | 146 Ų | 146 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | cis | 60.9 | 98.5 | 45.5 | -158.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 772 | I | 26.3 | Very low | 26.2 | Very low | 167 Ų | 167 | 150.3 Ų | 150.3 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | trans | -107.4 | 126.5 | 178 | -62.7 | 177 | 0 | 0 | 0 | 108.4 | ||||
| 773 | Q | 26.2 | Very low | 26.1 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -129.5 | 164.9 | 168.3 | -103 | -170.9 | -21 | 0 | 0 | 110.8 | ||||
| 774 | T | 24.4 | Very low | 26 | Very low | 145 Ų | 145 | 148.3 Ų | 148.3 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -72.2 | 140.7 | -162.8 | -3.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 775 | S | 23.1 | Very low | 25.8 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | trans | -146.2 | 141.2 | 152.6 | 55.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 776 | A | 22.6 | Very low | 26 | Very low | 98 Ų | 98 | 141.6 Ų | 141.6 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | cis | 71 | 84.2 | 32.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 777 | L | 25.1 | Very low | 25.9 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 93% | 0.927 | 82% | 0.824 | S | S | * | * | trans | -131.7 | 133.3 | 168.7 | -159.7 | 76.2 | 0 | 0 | 0 | 111.5 | ||||
| 778 | S | 21.5 | Very low | 26.5 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -94.8 | 158.5 | 174.4 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 779 | N | 25.2 | Very low | 26.3 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -57.2 | 138.1 | -175.2 | -63.2 | -62 | 0 | 0 | 0 | 114 | ||||
| 780 | K | 26.1 | Very low | 26.3 | Very low | 211 Ų | 211 | 137.7 Ų | 137.7 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -137.5 | 130.5 | 152.4 | -75.3 | -167.6 | 177.5 | 174.5 | 0 | 111.9 | ||||
| 781 | T | 26.7 | Very low | 26.3 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | trans | -90 | 150.9 | -176.8 | -41.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 782 | L | 25.8 | Very low | 26.3 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -141.6 | 144.9 | 146 | -148.7 | 79.7 | 0 | 0 | 0 | 111.6 | ||||
| 783 | T | 25.8 | Very low | 26.3 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 68% | 0.681 | 81% | 0.806 | S | S | * | * | trans | -100.9 | 146.6 | -173.3 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 784 | H | 26.3 | Very low | 26.4 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -144 | 151.1 | 144.6 | -97.3 | -73.7 | 0 | 0 | 0 | 111 | ||||
| 785 | G | 25.1 | Very low | 26.6 | Very low | 69 Ų | 69 | 139.1 Ų | 139.1 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -91 | 176 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 786 | P | 32.8 | Very low | 26.8 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | trans | -97.3 | 146 | -165.7 | 36.4 | -34.9 | 0 | 0 | 0 | 114.9 | ||||
| 787 | Q | 26.7 | Very low | 27.3 | Very low | 191 Ų | 191 | 141.6 Ų | 141.6 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -150 | 156.4 | 149.5 | -94.3 | -97 | -32.5 | 0 | 0 | 108.5 | ||||
| 788 | P | 39.6 | Very low | 27.4 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | -104.9 | 168.3 | -154.6 | 39.5 | -35.8 | 0 | 0 | 0 | 114.9 | ||||
| 789 | L | 24.4 | Very low | 27.6 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | -175 | 124.4 | 119.4 | -99.1 | 170.8 | 0 | 0 | 0 | 113.8 | |||||
| 790 | T | 25.2 | Very low | 27.7 | Very low | 114 Ų | 114 | 139 Ų | 139 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | 23.4 | 118.4 | 147.9 | 57.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 791 | K | 27.8 | Very low | 27.6 | Very low | 201 Ų | 201 | 134.5 Ų | 134.5 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | -172.9 | 113.1 | 116.1 | -100.7 | 156.9 | -174.4 | 176 | 0 | 111.6 | |||||
| 792 | S | 25.2 | Very low | 27.6 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -90.6 | 123.9 | 163.7 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 793 | V | 26.8 | Very low | 27.6 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -121.9 | 118.1 | 165.2 | 178.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 794 | S | 28.4 | Very low | 27.7 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -75.5 | 128.1 | 174 | 48 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 795 | L | 29.1 | Very low | 27.6 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | -90.2 | 105.7 | 163.8 | -73.1 | 174.9 | 0 | 0 | 0 | 108.8 | ||||
| 796 | D | 27.2 | Very low | 27.7 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -104.8 | 103.2 | 169.9 | -176.4 | 15.5 | 0 | 0 | 0 | 107.1 | G798 | D796-G798 VanDerWaalsContact C-N 3.31Å; D796-G798 PolarHBondContact O-N 3.46Å | ||
| 797 | S | 31.9 | Very low | 27.4 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -85.8 | 66.2 | -166.2 | 59.6 | 0 | 0 | 0 | 0 | 112.5 | F799 | S797-F799 PolarHBondContact O-N 2.8Š| ||
| 798 | G | 27.9 | Very low | 27.2 | Very low | 66 Ų | 66 | 131.6 Ų | 131.6 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | -68.8 | 116.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D796 S800 | D796-G798 VanDerWaalsContact C-N 3.31Å; D796-G798 PolarHBondContact O-N 3.46Å; G798-S800 PolarHBondContact O-N 3.19Å | ||
| 799 | F | 26.3 | Very low | 26.5 | Very low | 209 Ų | 209 | 135.8 Ų | 135.8 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | -70.9 | 113.4 | 177.2 | -72.1 | -92.1 | 0 | 0 | 0 | 111.7 | S797 | S797-F799 PolarHBondContact O-N 2.8Š| ||
| 800 | S | 26.1 | Very low | 26.6 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -98.2 | 109.3 | 169.9 | 69.9 | 0 | 0 | 0 | 0 | 111.6 | G798 I802 | G798-S800 PolarHBondContact O-N 3.19Å; S800-I802 PolarHBondContact O-N 2.81Å | ||
| 801 | S | 24.9 | Very low | 26.8 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -81.9 | 110.2 | 169 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 802 | I | 26.5 | Very low | 27.5 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -111.1 | 120 | 169.8 | -62.5 | -179.8 | 0 | 0 | 0 | 108.4 | S800 | S800-I802 PolarHBondContact O-N 2.81Š| ||
| 803 | C | 25 | Very low | 27.5 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 138.3 | 179.4 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 804 | P | 28.6 | Very low | 27.6 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -75.4 | 136.2 | 172.5 | 31.3 | -33.7 | 0 | 0 | 0 | 110.7 | ||||
| 805 | M | 25.2 | Very low | 27.5 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 96% | 0.961 | 80% | 0.797 | S | S | * | * | trans | -147.9 | 130.5 | 168.7 | -170.4 | 174.8 | -172 | 0 | 0 | 112.3 | ||||
| 806 | G | 26.5 | Very low | 27.9 | Very low | 68 Ų | 68 | 129.2 Ų | 129.2 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 123.6 | 92.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 807 | T | 25.4 | Very low | 27.9 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -136.1 | 80.6 | 150.2 | 28.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 808 | C | 24.3 | Very low | 27.7 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -137 | 96 | 170 | -79.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 809 | H | 23.8 | Very low | 28.1 | Very low | 186 Ų | 186 | 132.3 Ų | 132.3 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -81.1 | 146.9 | 162.4 | -61.6 | -63.1 | 0 | 0 | 0 | 109.1 | ||||
| 810 | A | 26.9 | Very low | 28.2 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 63% | 0.628 | 79% | 0.79 | S | S | * | * | cis | -167.9 | 171.9 | -12.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 811 | I | 28.7 | Very low | 28.3 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | 83.5 | 145 | 149.5 | -79.6 | 159.6 | 0 | 0 | 0 | 119.4 | ||||
| 812 | P | 42.2 | Very low | 28.7 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | trans | -134.3 | 169.1 | -153.8 | 42.1 | -23.4 | 0 | 0 | 0 | 117.3 | ||||
| 813 | A | 26.6 | Very low | 29.3 | Very low | 92 Ų | 92 | 132.8 Ų | 132.8 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -178.2 | 157.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 814 | H | 28.5 | Very low | 29.5 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | cis | -166.2 | 148.8 | -31.3 | -128.9 | -78.4 | 0 | 0 | 0 | 108.4 | ||||
| 815 | C | 26.6 | Very low | 29.5 | Very low | 118 Ų | 118 | 135 Ų | 135 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 62.8 | 137.6 | 161.7 | -60.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 816 | C | 36 | Very low | 29.8 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -75.9 | 150.8 | 162.8 | -44.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 817 | I | 27.6 | Very low | 30.2 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -163.8 | 142.4 | 146.2 | -115.4 | 160.4 | 0 | 0 | 0 | 113.7 | ||||
| 818 | C | 28.6 | Very low | 30.4 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 75% | 0.75 | 78% | 0.78 | S | S | * | * | trans | 55.6 | 134.3 | 161.1 | -67.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 819 | C | 36.6 | Very low | 30.8 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -48.8 | 161.9 | 150.9 | -37.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 820 | H | 27.6 | Very low | 31.1 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | -174 | 146 | 117 | -97.7 | -70.7 | 0 | 0 | 0 | 112.6 | |||||
| 821 | H | 27.6 | Very low | 31.2 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | 38.8 | 110.9 | 155.3 | -57 | -56 | 0 | 0 | 0 | 121.8 | ||||
| 822 | H | 34.3 | Very low | 31.9 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | -67.2 | 153.2 | 131.6 | -113.8 | 38 | 0 | 0 | 0 | 109.7 | ||||
| 823 | P | 38.9 | Very low | 31.3 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | -149 | 165.2 | 103.8 | 41.7 | -27.4 | 0 | 0 | 0 | 116.9 | |||||
| 824 | H | 28.2 | Very low | 32 | Very low | 169 Ų | 169 | 138 Ų | 138 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | trans | 65.6 | 103.5 | 158.1 | -58.5 | -50.4 | 0 | 0 | 0 | 120.5 | ||||
| 825 | C | 30.1 | Very low | 32.2 | Very low | 122 Ų | 122 | 139 Ų | 139 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -131.6 | 137.3 | 132.4 | -87.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 826 | H | 31.9 | Very low | 32.5 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | 85.1 | 139.7 | 178.9 | -66.8 | -80.7 | 0 | 0 | 0 | 119.5 | ||||
| 827 | G | 33.2 | Very low | 32.2 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -114.5 | 176.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 828 | E | 30.1 | Very low | 32.4 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | 63.9 | 85.6 | 170 | -58.2 | -141.1 | 90.3 | 0 | 0 | 118.9 | ||||
| 829 | R | 33.8 | Very low | 32.3 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | 74.7 | 118.4 | 116.1 | -86.5 | -178 | 166.5 | -94 | -1 | 121 | |||||
| 830 | Q | 30.3 | Very low | 32.4 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 95.8 | 117.1 | 139.3 | -65.3 | 171.5 | 122.4 | 0 | 0 | 118.5 | ||||
| 831 | S | 29 | Very low | 32.7 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -84.3 | -177.3 | 170.3 | -22.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 832 | P | 42.6 | Very low | 33.1 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | cis | -130.3 | 163.5 | -8.6 | 38.4 | -23 | 0 | 0 | 0 | 114.7 | ||||
| 833 | G | 28.3 | Very low | 33.2 | Very low | 71 Ų | 71 | 139.6 Ų | 139.6 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -166.7 | 145.6 | 168 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 834 | P | 42.9 | Very low | 33.4 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -90.7 | 158.6 | -176.8 | 35.9 | -35.2 | 0 | 0 | 0 | 114.2 | ||||
| 835 | E | 31.3 | Very low | 34.2 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | 57.4 | 111.2 | 166.2 | -62 | -163.9 | 135.7 | 0 | 0 | 120.1 | ||||
| 836 | P | 32.7 | Very low | 34.8 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -86.5 | 144.7 | 151.3 | 34.9 | -30.3 | 0 | 0 | 0 | 111.4 | ||||
| 837 | S | 31.7 | Very low | 35.6 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | -72.5 | 143.1 | -174.4 | 52.6 | 0 | 0 | 0 | 0 | 114.7 | C839 | S837-C839 PolarHBondContact O-N 3.48Š| ||
| 838 | V | 29.8 | Very low | 36.4 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | -70.9 | 106.3 | 169.8 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | R840 | V838-R840 PolarHBondContact O-N 3.47Å; V838-R840 VanDerWaalsContact O-N 3.1Å | ||
| 839 | C | 27.7 | Very low | 37.6 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | trans | -76.4 | 92.4 | 173.1 | -170.6 | 0 | 0 | 0 | 0 | 111 | S837 H841 | S837-C839 PolarHBondContact O-N 3.48Å; C839-H841 PolarHBondContact O-N 3.32Å; C839-H841 VanDerWaalsContact SG-CD2 3.54Å | ||
| 840 | R | 39.1 | Very low | 38.6 | Very low | 237 Ų | 237 | 127.3 Ų | 127.3 | 89% | 0.894 | 74% | 0.737 | S | S | * | * | trans | -79.8 | 98.6 | 164 | -87.7 | -172.3 | 171 | -177.1 | -1.2 | 109.4 | V838 | V838-R840 PolarHBondContact O-N 3.47Å; V838-R840 VanDerWaalsContact O-N 3.1Å | ||
| 841 | H | 33.4 | Very low | 40.2 | Very low | 156 Ų | 156 | 125.9 Ų | 125.9 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | -108.9 | 112.9 | 167.5 | -102.6 | -49.6 | 0 | 0 | 0 | 112.8 | C839 | C839-H841 PolarHBondContact O-N 3.32Å; C839-H841 VanDerWaalsContact SG-CD2 3.54Å | ||
| 842 | C | 36.8 | Very low | 42.2 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 58% | 0.581 | 72% | 0.715 | S | S | * | * | trans | 43.3 | 97.8 | 143.2 | -53.3 | 0 | 0 | 0 | 0 | 119.2 | C844 | C842-C844 VanDerWaalsContact C-N 3.34Š| ||
| 843 | L | 36.3 | Very low | 43.5 | Very low | 174 Ų | 174 | 122.2 Ų | 122.2 | 91% | 0.911 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -97.7 | 26.8 | 154.2 | -75.3 | 172.5 | 0 | 0 | 0 | 111.9 | ||
| 844 | C | 42.7 | Very low | 45.7 | Very low | 103 Ų | 103 | 125 Ų | 125 | 70% | 0.696 | 69% | 0.692 | S | S | * | * | trans | -105.2 | 2.6 | -167.1 | -54.3 | 0 | 0 | 0 | 0 | 114.7 | C842 | C842-C844 VanDerWaalsContact C-N 3.34Š| ||
| 845 | S | 44.4 | Very low | 47.3 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -100.1 | -4.9 | -173 | -54 | 0 | 0 | 0 | 0 | 114.8 | ||
| 846 | L | 42.8 | Very low | 49.4 | Very low | 143 Ų | 143 | 119.7 Ų | 119.7 | 75% | 0.749 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -94.6 | -32.9 | -174.8 | -166.7 | 63.7 | 0 | 0 | 0 | 113.2 | ||
| 847 | T | 48.2 | Very low | 51.4 | Low | 92 Ų | 92 | 117.2 Ų | 117.2 | 56% | 0.564 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.9 | -48.4 | -178.9 | 16.4 | 0 | 0 | 0 | 0 | 112.8 | H849 Q850 E851 | T847-H849 VanDerWaalsContact C-N 3.27Å; T847-H849 PolarHBondContact O-N 3Å; T847-Q850 PolarHBondContact O-N 3.12Å; T847-E851 PolarHBondContact O-N 3.22Å |
| 848 | G | 50.2 | Low | 53.6 | Low | 42 Ų | 42 | 114.6 Ų | 114.6 | 43% | 0.433 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -62 | -29 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A852 | G848-A852 VanDerWaalsContact O-CB 3.27Å; G848-A852 WeakPolarHBondContact O-CB 3.43Å; G848-A852 PolarHBondContact O-N 3.37Å |
| 849 | H | 55.8 | Low | 55.9 | Low | 128 Ų | 128 | 114 Ų | 114 | 59% | 0.593 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.8 | -41.3 | 172.4 | -173.3 | -59.2 | 0 | 0 | 0 | 111.3 | T847 Q853 | T847-H849 VanDerWaalsContact C-N 3.27Å; T847-H849 PolarHBondContact O-N 3Å; H849-Q853 PolarHBondContact CE1-OE1 2.93Å; H849-Q853 PolarHBondContact ND1-OE1 2.79Å; H849-Q853 WeakPolarHBondContact O-CB 3.35Å; H849-Q853 PolarHBondContact O-N 3.19Å |
| 850 | Q | 54.1 | Low | 58.2 | Low | 141 Ų | 141 | 111.8 Ų | 111.8 | 66% | 0.659 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.1 | -34.6 | -177.7 | -159.7 | 165.9 | 29.3 | 0 | 0 | 111.6 | T847 F854 | T847-Q850 PolarHBondContact O-N 3.12Å; Q850-F854 VanDerWaalsContact O-CB 3.32Å; Q850-F854 WeakPolarHBondContact O-CB 3.4Å; Q850-F854 PolarHBondContact O-N 3.39Å |
| 851 | E | 64.6 | Low | 59.8 | Low | 134 Ų | 134 | 105.3 Ų | 105.3 | 63% | 0.626 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.9 | -45.6 | 173.9 | -169 | 161.8 | -140 | 0 | 0 | 112.1 | T847 Q853 F854 M855 | T847-E851 PolarHBondContact O-N 3.22Å; E851-Q853 VanDerWaalsContact C-N 3.33Å; E851-Q853 PolarHBondContact O-N 3.14Å; E851-F854 WeakPolarHBondContact O-CB 3.43Å; E851-F854 PolarHBondContact O-N 2.84Å; E851-M855 WeakPolarHBondContact O-CG 3.35Å; E851-M855 PolarHBondContact O-N 3.15Å |
| 852 | A | 70.6 | Confident | 61.5 | Low | 58 Ų | 58 | 99.4 Ų | 99.4 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64 | -35.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G848 M855 T856 | G848-A852 VanDerWaalsContact O-CB 3.27Å; G848-A852 WeakPolarHBondContact O-CB 3.43Å; G848-A852 PolarHBondContact O-N 3.37Å; A852-M855 PolarHBondContact O-N 3.05Å; A852-T856 WeakPolarHBondContact O-CG2 3.21Å; A852-T856 PolarHBondContact O-N 3.32Å; A852-T856 PolarHBondContact O-OG1 3.05Å |
| 853 | Q | 69.5 | Low | 63 | Low | 107 Ų | 107 | 99.1 Ų | 99.1 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.4 | -32.8 | 177.2 | -168.4 | 168.5 | 18.3 | 0 | 0 | 111.8 | H849 E851 T856 T857 | H849-Q853 PolarHBondContact CE1-OE1 2.93Å; H849-Q853 PolarHBondContact ND1-OE1 2.79Å; H849-Q853 WeakPolarHBondContact O-CB 3.35Å; H849-Q853 PolarHBondContact O-N 3.19Å; E851-Q853 VanDerWaalsContact C-N 3.33Å; E851-Q853 PolarHBondContact O-N 3.14Å; Q853-T856 WeakPolarHBondContact CA-OG1 3.39Å; Q853-T856 PolarHBondContact O-OG1 3.38Å; Q853-T857 WeakPolarHBondContact O-CB 3.46Å; Q853-T857 PolarHBondContact O-N 3.43Å; Q853-T857 VanDerWaalsContact O-N 3.16Å; Q853-T857 PolarHBondContact O-OG1 3.03Å |
| 854 | F | 74.4 | Confident | 64.9 | Low | 131 Ų | 131 | 92.7 Ų | 92.7 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.5 | -48 | 169.6 | 177.9 | -111.2 | 0 | 0 | 0 | 110.6 | Q850 E851 T856 T857 L858 | Q850-F854 VanDerWaalsContact O-CB 3.32Å; Q850-F854 WeakPolarHBondContact O-CB 3.4Å; Q850-F854 PolarHBondContact O-N 3.39Å; E851-F854 WeakPolarHBondContact O-CB 3.43Å; E851-F854 PolarHBondContact O-N 2.84Å; F854-T856 PolarHBondContact O-N 3.32Å; F854-T857 WeakPolarHBondContact O-CB 3.35Å; F854-T857 PolarHBondContact O-N 2.9Å; F854-L858 HydrophobicContact CD1-CD1 4.4Å; F854-L858 HydrophobicContact CE1-CD1 3.66Å; F854-L858 HydrophobicContact CE2-CD1 4.45Å; F854-L858 HydrophobicContact CZ-CD1 3.68Å; F854-L858 HydrophobicContact CZ-CG 4.43Å; F854-L858 WeakPolarHBondContact O-CB 3.32Å; F854-L858 PolarHBondContact O-N 3.39Å |
| 855 | M | 77.7 | Confident | 66 | Low | 104 Ų | 104 | 90.6 Ų | 90.6 | 51% | 0.512 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.8 | -36.4 | -179.2 | -71.1 | -92.1 | 58.9 | 0 | 0 | 114 | E851 A852 T857 L858 K859 | E851-M855 WeakPolarHBondContact O-CG 3.35Å; E851-M855 PolarHBondContact O-N 3.15Å; A852-M855 PolarHBondContact O-N 3.05Å; M855-T857 VanDerWaalsContact C-N 3.35Å; M855-L858 HydrophobicContact CE-CB 3.93Å; M855-L858 HydrophobicContact CE-CD1 3.73Å; M855-L858 HydrophobicContact CE-CG 4.48Å; M855-L858 PolarHBondContact O-N 3.18Å; M855-K859 WeakPolarHBondContact O-CB 3.28Å; M855-K859 PolarHBondContact O-N 2.89Å |
| 856 | T | 74.1 | Confident | 67 | Low | 94 Ų | 94 | 86.9 Ų | 86.9 | 58% | 0.577 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.7 | -35.1 | 171.8 | 46.4 | 0 | 0 | 0 | 0 | 112.1 | A852 Q853 F854 A860 | A852-T856 WeakPolarHBondContact O-CG2 3.21Å; A852-T856 PolarHBondContact O-N 3.32Å; A852-T856 PolarHBondContact O-OG1 3.05Å; Q853-T856 WeakPolarHBondContact CA-OG1 3.39Å; Q853-T856 PolarHBondContact O-OG1 3.38Å; F854-T856 PolarHBondContact O-N 3.32Å; T856-A860 WeakPolarHBondContact O-CB 3.31Å; T856-A860 PolarHBondContact O-N 3.32Å |
| 857 | T | 76 | Confident | 68.2 | Low | 78 Ų | 78 | 87.9 Ų | 87.9 | 48% | 0.479 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 173.4 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | Q853 F854 M855 A860 L861 | Q853-T857 WeakPolarHBondContact O-CB 3.46Å; Q853-T857 PolarHBondContact O-N 3.43Å; Q853-T857 VanDerWaalsContact O-N 3.16Å; Q853-T857 PolarHBondContact O-OG1 3.03Å; F854-T857 WeakPolarHBondContact O-CB 3.35Å; F854-T857 PolarHBondContact O-N 2.9Å; M855-T857 VanDerWaalsContact C-N 3.35Å; T857-A860 PolarHBondContact O-N 3Å; T857-L861 WeakPolarHBondContact O-CB 3.38Å; T857-L861 PolarHBondContact O-N 3.4Å |
| 858 | L | 76.7 | Confident | 69 | Low | 60 Ų | 60 | 89 Ų | 89 | 31% | 0.314 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 177.1 | -124.8 | 174.9 | 0 | 0 | 0 | 111.4 | F854 M855 L861 Q862 | F854-L858 HydrophobicContact CD1-CD1 4.4Å; F854-L858 HydrophobicContact CE1-CD1 3.66Å; F854-L858 HydrophobicContact CE2-CD1 4.45Å; F854-L858 HydrophobicContact CZ-CD1 3.68Å; F854-L858 HydrophobicContact CZ-CG 4.43Å; F854-L858 WeakPolarHBondContact O-CB 3.32Å; F854-L858 PolarHBondContact O-N 3.39Å; M855-L858 HydrophobicContact CE-CB 3.93Å; M855-L858 HydrophobicContact CE-CD1 3.73Å; M855-L858 HydrophobicContact CE-CG 4.48Å; M855-L858 PolarHBondContact O-N 3.18Å; L858-L861 WeakPolarHBondContact O-CB 3.36Å; L858-L861 PolarHBondContact O-N 2.99Å; L858-Q862 PolarHBondContact O-N 3.5Å |
| 859 | K | 79.5 | Confident | 69.6 | Low | 121 Ų | 121 | 92.6 Ų | 92.6 | 53% | 0.526 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 173.6 | -175.9 | 167.7 | -177.8 | 169.5 | 0 | 111.9 | M855 L861 Q862 D863 | M855-K859 WeakPolarHBondContact O-CB 3.28Å; M855-K859 PolarHBondContact O-N 2.89Å; K859-L861 VanDerWaalsContact C-N 3.25Å; K859-L861 PolarHBondContact O-N 2.93Å; K859-Q862 WeakPolarHBondContact O-CB 3.37Å; K859-Q862 PolarHBondContact O-N 3.12Å; K859-Q862 VanDerWaalsContact O-N 3.16Å; K859-D863 WeakPolarHBondContact O-CB 3.45Å; K859-D863 VanDerWaalsContact O-CG 3.27Å; K859-D863 PolarHBondContact O-N 3.36Å |
| 860 | A | 75.3 | Confident | 69.9 | Low | 53 Ų | 53 | 87.7 Ų | 87.7 | 44% | 0.438 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.3 | -32.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T856 T857 T864 | T856-A860 WeakPolarHBondContact O-CB 3.31Å; T856-A860 PolarHBondContact O-N 3.32Å; T857-A860 PolarHBondContact O-N 3Å; A860-T864 WeakPolarHBondContact O-CB 3.17Å; A860-T864 WeakPolarHBondContact O-CG2 3.33Å; A860-T864 PolarHBondContact O-N 2.97Å; A860-T864 PolarHBondContact O-OG1 3.43Å |
| 861 | L | 71.8 | Confident | 70.4 | Confident | 100 Ų | 100 | 83.9 Ų | 83.9 | 52% | 0.524 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.7 | -37.1 | 172.8 | -107 | 159 | 0 | 0 | 0 | 112.8 | T857 L858 K859 T864 T865 | T857-L861 WeakPolarHBondContact O-CB 3.38Å; T857-L861 PolarHBondContact O-N 3.4Å; L858-L861 WeakPolarHBondContact O-CB 3.36Å; L858-L861 PolarHBondContact O-N 2.99Å; K859-L861 VanDerWaalsContact C-N 3.25Å; K859-L861 PolarHBondContact O-N 2.93Å; L861-T864 WeakPolarHBondContact CA-OG1 3.46Å; L861-T864 PolarHBondContact O-OG1 3.34Å; L861-T865 WeakPolarHBondContact O-CB 3.42Å; L861-T865 WeakPolarHBondContact O-CG2 3.31Å; L861-T865 PolarHBondContact O-N 3.41Å; L861-T865 PolarHBondContact O-OG1 2.9Å |
| 862 | Q | 69 | Low | 70.6 | Confident | 33 Ų | 33 | 81 Ų | 81 | 15% | 0.154 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.1 | -46 | 171.8 | -80.6 | 176.6 | -24.4 | 0 | 0 | 111.6 | L858 K859 T864 T865 V866 L953 L956 T957 | L858-Q862 PolarHBondContact O-N 3.5Å; K859-Q862 WeakPolarHBondContact O-CB 3.37Å; K859-Q862 PolarHBondContact O-N 3.12Å; K859-Q862 VanDerWaalsContact O-N 3.16Å; Q862-T864 VanDerWaalsContact C-N 3.32Å; Q862-T864 PolarHBondContact O-N 2.59Å; Q862-T865 PolarHBondContact O-N 2.84Å; Q862-T865 PolarHBondContact O-OG1 3.4Å; Q862-V866 WeakPolarHBondContact O-CB 3.35Å; Q862-V866 WeakPolarHBondContact O-CG2 3.16Å; Q862-V866 PolarHBondContact O-N 2.85Å; Q862-L953 HydrophobicContact CB-CD1 3.79Å; Q862-L953 HydrophobicContact CG-CD1 4.1Å; Q862-L956 PolarHBondContact NE2-O 3.42Å; Q862-T957 VanDerWaalsContact OE1-CG2 3.28Å |
| 863 | D | 70.3 | Confident | 71 | Confident | 80 Ų | 80 | 81.4 Ų | 81.4 | 43% | 0.428 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.6 | -32.1 | 177.7 | -67.3 | -19.7 | 0 | 0 | 0 | 111.9 | K859 R867 | K859-D863 WeakPolarHBondContact O-CB 3.45Å; K859-D863 VanDerWaalsContact O-CG 3.27Å; K859-D863 PolarHBondContact O-N 3.36Å; D863-R867 WeakPolarHBondContact O-CB 3.47Å; D863-R867 PolarHBondContact O-N 3.49Å |
| 864 | T | 75 | Confident | 71.8 | Confident | 39 Ų | 39 | 76.6 Ų | 76.6 | 24% | 0.239 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -71.5 | -50.9 | 171 | 37.3 | 0 | 0 | 0 | 0 | 112.1 | A860 L861 Q862 V866 R867 E868 | A860-T864 WeakPolarHBondContact O-CB 3.17Å; A860-T864 WeakPolarHBondContact O-CG2 3.33Å; A860-T864 PolarHBondContact O-N 2.97Å; A860-T864 PolarHBondContact O-OG1 3.43Å; L861-T864 WeakPolarHBondContact CA-OG1 3.46Å; L861-T864 PolarHBondContact O-OG1 3.34Å; Q862-T864 VanDerWaalsContact C-N 3.32Å; Q862-T864 PolarHBondContact O-N 2.59Å; T864-V866 PolarHBondContact O-N 2.95Å; T864-R867 WeakPolarHBondContact O-CB 3.23Å; T864-R867 PolarHBondContact O-N 2.86Å; T864-E868 WeakPolarHBondContact O-CB 3.19Å; T864-E868 WeakPolarHBondContact O-CG 3.27Å; T864-E868 PolarHBondContact O-N 3.46Å |
| 865 | T | 65.6 | Low | 72.4 | Confident | 58 Ų | 58 | 76.2 Ų | 76.2 | 36% | 0.356 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.9 | -36.3 | -178.6 | 49.4 | 0 | 0 | 0 | 0 | 113 | L861 Q862 E868 L869 | L861-T865 WeakPolarHBondContact O-CB 3.42Å; L861-T865 WeakPolarHBondContact O-CG2 3.31Å; L861-T865 PolarHBondContact O-N 3.41Å; L861-T865 PolarHBondContact O-OG1 2.9Å; Q862-T865 PolarHBondContact O-N 2.84Å; Q862-T865 PolarHBondContact O-OG1 3.4Å; T865-E868 PolarHBondContact O-N 3.05Å; T865-L869 VanDerWaalsContact O-CB 3.24Å; T865-L869 WeakPolarHBondContact O-CB 3.47Å; T865-L869 WeakPolarHBondContact O-CD1 3.31Å; T865-L869 WeakPolarHBondContact O-CG 3.49Å; T865-L869 PolarHBondContact O-N 2.99Å |
| 866 | V | 66.2 | Low | 73 | Confident | 29 Ų | 29 | 77 Ų | 77 | 18% | 0.176 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | 171.7 | 164.1 | 0 | 0 | 0 | 0 | 111.5 | Q862 T864 C870 I949 L953 | Q862-V866 WeakPolarHBondContact O-CB 3.35Å; Q862-V866 WeakPolarHBondContact O-CG2 3.16Å; Q862-V866 PolarHBondContact O-N 2.85Å; T864-V866 PolarHBondContact O-N 2.95Å; V866-C870 VanDerWaalsContact O-CB 3.25Å; V866-C870 WeakPolarHBondContact O-CB 3.41Å; V866-C870 PolarHBondContact O-N 3.36Å; V866-C870 PolarHBondContact O-SG 3.48Å; V866-I949 HydrophobicContact CB-CG2 4.31Å; V866-I949 HydrophobicContact CG1-CG2 3.86Å; V866-I949 HydrophobicContact CG2-CG2 3.88Å; V866-L953 HydrophobicContact CG2-CB 4.28Å; V866-L953 HydrophobicContact CG2-CD1 3.45Å; V866-L953 VanDerWaalsContact CG2-CD1 3.45Å; V866-L953 HydrophobicContact CG2-CD2 3.99Å; V866-L953 HydrophobicContact CG2-CG 4.09Å |
| 867 | R | 67.5 | Low | 73.8 | Confident | 164 Ų | 164 | 73.2 Ų | 73.2 | 62% | 0.619 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60 | -47.2 | 174.9 | 175.2 | 170.6 | 52.9 | 169.9 | -3.6 | 111.2 | D863 T864 S871 | D863-R867 WeakPolarHBondContact O-CB 3.47Å; D863-R867 PolarHBondContact O-N 3.49Å; T864-R867 WeakPolarHBondContact O-CB 3.23Å; T864-R867 PolarHBondContact O-N 2.86Å; R867-S871 WeakPolarHBondContact O-CA 3.44Å; R867-S871 WeakPolarHBondContact O-CB 3.24Å; R867-S871 PolarHBondContact O-N 3.41Å; R867-S871 PolarHBondContact O-OG 2.94Å; R867-S871 VanDerWaalsContact O-OG 3.09Å |
| 868 | E | 65.1 | Low | 74.5 | Confident | 115 Ų | 115 | 73.4 Ų | 73.4 | 54% | 0.537 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.8 | -48.7 | -179.3 | -73.9 | 166.4 | -163.4 | 0 | 0 | 112.1 | T864 T865 C870 S871 | T864-E868 WeakPolarHBondContact O-CB 3.19Å; T864-E868 WeakPolarHBondContact O-CG 3.27Å; T864-E868 PolarHBondContact O-N 3.46Å; T865-E868 PolarHBondContact O-N 3.05Å; E868-C870 PolarHBondContact O-N 3.33Å; E868-S871 WeakPolarHBondContact CA-OG 3.33Å; E868-S871 PolarHBondContact O-N 2.83Å; E868-S871 VanDerWaalsContact O-N 3.12Å; E868-S871 PolarHBondContact O-OG 3.28Å |
| 869 | L | 63 | Low | 75.2 | Confident | 117 Ų | 117 | 72.3 Ų | 72.3 | 61% | 0.613 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65 | -35.3 | 179.9 | -69.3 | 168.6 | 0 | 0 | 0 | 113 | T865 | T865-L869 VanDerWaalsContact O-CB 3.24Å; T865-L869 WeakPolarHBondContact O-CB 3.47Å; T865-L869 WeakPolarHBondContact O-CD1 3.31Å; T865-L869 WeakPolarHBondContact O-CG 3.49Å; T865-L869 PolarHBondContact O-N 2.99Å |
| 870 | C | 61.4 | Low | 75.9 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 18% | 0.176 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.9 | -44.5 | 169.1 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | V866 E868 C872 V874 I949 | V866-C870 VanDerWaalsContact O-CB 3.25Å; V866-C870 WeakPolarHBondContact O-CB 3.41Å; V866-C870 PolarHBondContact O-N 3.36Å; V866-C870 PolarHBondContact O-SG 3.48Å; E868-C870 PolarHBondContact O-N 3.33Å; C870-C872 VanDerWaalsContact C-N 3.29Å; C870-C872 PolarHBondContact O-N 3.06Å; C870-C872 VanDerWaalsContact O-N 3.14Å; C870-V874 HydrophobicContact CB-CG2 4.35Å; C870-V874 WeakPolarHBondContact O-CB 3.16Å; C870-V874 WeakPolarHBondContact O-CG2 3.28Å; C870-V874 PolarHBondContact O-N 2.7Å; C870-V874 VanDerWaalsContact O-N 3.11Å; C870-I949 VanDerWaalsContact SG-CD1 3.58Å |
| 871 | S | 65.8 | Low | 76.8 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 43% | 0.427 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.7 | -18.5 | -164.3 | 63.8 | 0 | 0 | 0 | 0 | 116.7 | R867 E868 H875 | R867-S871 WeakPolarHBondContact O-CA 3.44Å; R867-S871 WeakPolarHBondContact O-CB 3.24Å; R867-S871 PolarHBondContact O-N 3.41Å; R867-S871 PolarHBondContact O-OG 2.94Å; R867-S871 VanDerWaalsContact O-OG 3.09Å; E868-S871 WeakPolarHBondContact CA-OG 3.33Å; E868-S871 PolarHBondContact O-N 2.83Å; E868-S871 VanDerWaalsContact O-N 3.12Å; E868-S871 PolarHBondContact O-OG 3.28Å; S871-H875 WeakPolarHBondContact O-CB 3.16Å |
| 872 | C | 68 | Low | 77.8 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 49% | 0.493 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -76.9 | 171.7 | -58.4 | 0 | 0 | 0 | 0 | 110 | C870 V874 H875 E876 | C870-C872 VanDerWaalsContact C-N 3.29Å; C870-C872 PolarHBondContact O-N 3.06Å; C870-C872 VanDerWaalsContact O-N 3.14Å; C872-V874 PolarHBondContact O-N 2.99Å; C872-H875 PolarHBondContact O-N 3.01Å; C872-H875 VanDerWaalsContact O-N 3.1Å; C872-E876 WeakPolarHBondContact O-CG 3.48Å; C872-E876 PolarHBondContact O-N 3.47Å |
| 873 | T | 80.1 | Confident | 79.1 | Confident | 67 Ų | 67 | 74 Ų | 74 | 41% | 0.411 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.9 | -32.5 | -168.1 | 62.8 | 0 | 0 | 0 | 0 | 115 | M877 | T873-M877 VanDerWaalsContact O-CG 3.27Å; T873-M877 WeakPolarHBondContact O-CG 3.29Å; T873-M877 PolarHBondContact O-N 3.34Å |
| 874 | V | 86.1 | Confident | 80.3 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.036 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -75.9 | -40.4 | 176.5 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | C870 C872 M877 E878 A942 I945 R946 | C870-V874 HydrophobicContact CB-CG2 4.35Å; C870-V874 WeakPolarHBondContact O-CB 3.16Å; C870-V874 WeakPolarHBondContact O-CG2 3.28Å; C870-V874 PolarHBondContact O-N 2.7Å; C870-V874 VanDerWaalsContact O-N 3.11Å; C872-V874 PolarHBondContact O-N 2.99Å; V874-M877 PolarHBondContact O-N 3.17Å; V874-E878 WeakPolarHBondContact O-CG 3.34Å; V874-E878 PolarHBondContact O-N 2.83Å; V874-A942 HydrophobicContact CG1-CB 4.21Å; V874-I945 HydrophobicContact CG2-CB 4.17Å; V874-I945 HydrophobicContact CG2-CG2 3.58Å; V874-R946 HydrophobicContact CB-CG 4.48Å; V874-R946 HydrophobicContact CG1-CG 3.64Å; V874-R946 HydrophobicContact CG2-CG 4.07Å |
| 875 | H | 86.9 | Confident | 81.2 | Confident | 122 Ų | 122 | 72.3 Ų | 72.3 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -69.3 | -40.6 | -179 | -171.5 | 49.9 | 0 | 0 | 0 | 112.1 | S871 C872 M877 E878 A879 | S871-H875 WeakPolarHBondContact O-CB 3.16Å; C872-H875 PolarHBondContact O-N 3.01Å; C872-H875 VanDerWaalsContact O-N 3.1Å; H875-M877 VanDerWaalsContact C-N 3.25Å; H875-M877 PolarHBondContact O-N 3.39Å; H875-E878 PolarHBondContact O-N 3.14Å; H875-A879 WeakPolarHBondContact O-CB 3.37Å; H875-A879 PolarHBondContact O-N 3.07Å |
| 876 | E | 89.4 | Confident | 82.6 | Confident | 120 Ų | 120 | 72.5 Ų | 72.5 | 56% | 0.561 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -55.2 | -42.2 | 170.6 | -73.3 | 164.8 | -179.9 | 0 | 0 | 111.4 | C872 M880 | C872-E876 WeakPolarHBondContact O-CG 3.48Å; C872-E876 PolarHBondContact O-N 3.47Å; E876-M880 WeakPolarHBondContact O-CB 3.45Å; E876-M880 PolarHBondContact O-N 3.31Å |
| 877 | M | 90.6 | Very high | 84 | Confident | 16 Ų | 16 | 75.5 Ų | 75.5 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -72.8 | -36.4 | 177.9 | -74.4 | -175.9 | 72.3 | 0 | 0 | 113.5 | T873 V874 H875 M880 K881 L938 R941 A942 I945 | T873-M877 VanDerWaalsContact O-CG 3.27Å; T873-M877 WeakPolarHBondContact O-CG 3.29Å; T873-M877 PolarHBondContact O-N 3.34Å; V874-M877 PolarHBondContact O-N 3.17Å; H875-M877 VanDerWaalsContact C-N 3.25Å; H875-M877 PolarHBondContact O-N 3.39Å; M877-M880 PolarHBondContact O-N 3.06Å; M877-K881 WeakPolarHBondContact O-CB 3.47Å; M877-K881 PolarHBondContact O-N 3.45Å; M877-L938 HydrophobicContact CE-CD2 4.12Å; M877-L938 VanDerWaalsContact CE-O 3.3Å; M877-L938 WeakPolarHBondContact CE-O 3.4Å; M877-R941 HydrophobicContact CE-CB 3.59Å; M877-R941 HydrophobicContact CE-CG 3.61Å; M877-R941 HydrophobicContact SD-CG 4.32Å; M877-R941 PolarHBondContact SD-NH1 3.12Å; M877-A942 HydrophobicContact CB-CB 3.95Å; M877-A942 HydrophobicContact CE-CB 4.27Å; M877-A942 HydrophobicContact SD-CB 4.46Å; M877-I945 HydrophobicContact SD-CD1 3.88Å |
| 878 | E | 90.9 | Very high | 85.3 | Confident | 81 Ų | 81 | 70.1 Ų | 70.1 | 38% | 0.379 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.1 | -37.3 | 173.3 | -73.4 | -177.1 | 149.5 | 0 | 0 | 111.9 | V874 H875 K881 T882 A942 R946 | V874-E878 WeakPolarHBondContact O-CG 3.34Å; V874-E878 PolarHBondContact O-N 2.83Å; H875-E878 PolarHBondContact O-N 3.14Å; E878-K881 VanDerWaalsContact O-CB 3.32Å; E878-K881 WeakPolarHBondContact O-CB 3.45Å; E878-K881 PolarHBondContact O-N 3.19Å; E878-T882 PolarHBondContact O-N 3.2Å; E878-T882 PolarHBondContact O-OG1 2.83Å; E878-A942 HydrophobicContact CG-CB 4.46Å; E878-R946 IonicContact OE1-CZ 2.69Å; E878-R946 IonicContact OE1-NH1 3.72Å; E878-R946 PolarHBondContact OE1-NH1 3.02Å; E878-R946 IonicContact OE1-NH2 3.42Å |
| 879 | A | 91.8 | Very high | 86.7 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 31% | 0.306 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | H875 K881 T882 I883 | H875-A879 WeakPolarHBondContact O-CB 3.37Å; H875-A879 PolarHBondContact O-N 3.07Å; A879-K881 VanDerWaalsContact C-N 3.26Å; A879-K881 PolarHBondContact O-N 3.35Å; A879-T882 PolarHBondContact O-N 2.9Å; A879-T882 VanDerWaalsContact O-N 3.16Å; A879-T882 PolarHBondContact O-OG1 3.04Å; A879-I883 WeakPolarHBondContact O-CG1 3.21Å; A879-I883 PolarHBondContact O-N 3.38Å |
| 880 | M | 93.4 | Very high | 88.2 | Confident | 100 Ų | 100 | 70 Ų | 70 | 49% | 0.493 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.3 | -38.3 | 174.1 | -160.7 | 72 | 67.8 | 0 | 0 | 111.9 | E876 M877 I883 C884 L938 | E876-M880 WeakPolarHBondContact O-CB 3.45Å; E876-M880 PolarHBondContact O-N 3.31Å; M877-M880 PolarHBondContact O-N 3.06Å; M880-I883 PolarHBondContact O-N 3.13Å; M880-C884 PolarHBondContact O-N 3.4Å; M880-C884 PolarHBondContact O-SG 2.9Å; M880-L938 HydrophobicContact CB-CD1 3.9Å; M880-L938 HydrophobicContact CB-CD2 4.16Å; M880-L938 HydrophobicContact CG-CD1 3.51Å; M880-L938 HydrophobicContact CG-CD2 4.03Å; M880-L938 HydrophobicContact CG-CG 4.44Å |
| 881 | K | 95.1 | Very high | 89.7 | Confident | 60 Ų | 60 | 70.1 Ų | 70.1 | 26% | 0.261 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.8 | -50.4 | 173.9 | -166.6 | -169.2 | -179.3 | -78.4 | 0 | 111.4 | M877 E878 A879 I883 C884 Q885 E935 L938 | M877-K881 WeakPolarHBondContact O-CB 3.47Å; M877-K881 PolarHBondContact O-N 3.45Å; E878-K881 VanDerWaalsContact O-CB 3.32Å; E878-K881 WeakPolarHBondContact O-CB 3.45Å; E878-K881 PolarHBondContact O-N 3.19Å; A879-K881 VanDerWaalsContact C-N 3.26Å; A879-K881 PolarHBondContact O-N 3.35Å; K881-I883 VanDerWaalsContact C-N 3.3Å; K881-I883 PolarHBondContact O-N 2.88Å; K881-C884 PolarHBondContact O-N 3.26Å; K881-Q885 PolarHBondContact O-N 3.24Å; K881-E935 HydrophobicContact CD-CG 4.36Å; K881-E935 WeakPolarHBondContact CE-OE1 3.48Å; K881-E935 HydrophobicContact CG-CG 3.41Å; K881-E935 VanDerWaalsContact CG-CG 3.41Å; K881-E935 IonicContact NZ-OE1 2.85Å; K881-E935 PolarHBondContact NZ-OE1 3.48Å; K881-L938 HydrophobicContact CB-CB 4.32Å |
| 882 | T | 93.4 | Very high | 90.9 | Very high | 85 Ų | 85 | 71.8 Ų | 71.8 | 52% | 0.521 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65 | -33 | 178.7 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | E878 A879 Q885 S886 | E878-T882 PolarHBondContact O-N 3.2Å; E878-T882 PolarHBondContact O-OG1 2.83Å; A879-T882 PolarHBondContact O-N 2.9Å; A879-T882 VanDerWaalsContact O-N 3.16Å; A879-T882 PolarHBondContact O-OG1 3.04Å; T882-Q885 PolarHBondContact O-N 3.01Å; T882-S886 PolarHBondContact O-N 3.23Å; T882-S886 PolarHBondContact O-OG 3.05Å |
| 883 | I | 96.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 74.4 Ų | 74.4 | 51% | 0.508 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.7 | -49.2 | 171.7 | -68.5 | 164.6 | 0 | 0 | 0 | 110.1 | A879 M880 K881 Q885 S886 F887 | A879-I883 WeakPolarHBondContact O-CG1 3.21Å; A879-I883 PolarHBondContact O-N 3.38Å; M880-I883 PolarHBondContact O-N 3.13Å; K881-I883 VanDerWaalsContact C-N 3.3Å; K881-I883 PolarHBondContact O-N 2.88Å; I883-Q885 VanDerWaalsContact C-N 3.3Å; I883-Q885 PolarHBondContact O-N 3.46Å; I883-S886 PolarHBondContact O-N 2.93Å; I883-S886 PolarHBondContact O-OG 3.43Å; I883-F887 WeakPolarHBondContact O-CB 3.35Å; I883-F887 PolarHBondContact O-N 3.29Å |
| 884 | C | 94.8 | Very high | 92.8 | Very high | 12 Ų | 12 | 74.1 Ų | 74.1 | 8% | 0.081 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.3 | -39.8 | 176.6 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | M880 K881 F887 R888 V931 E935 | M880-C884 PolarHBondContact O-N 3.4Å; M880-C884 PolarHBondContact O-SG 2.9Å; K881-C884 PolarHBondContact O-N 3.26Å; C884-F887 PolarHBondContact O-N 2.83Å; C884-R888 PolarHBondContact O-N 3.42Å; C884-V931 HydrophobicContact CB-CG1 4.26Å; C884-V931 WeakPolarHBondContact O-CG1 3.3Å; C884-E935 HydrophobicContact CB-CB 4.07Å; C884-E935 HydrophobicContact CB-CG 4.35Å |
| 885 | Q | 94.1 | Very high | 93 | Very high | 70 Ų | 70 | 74.6 Ų | 74.6 | 33% | 0.327 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.5 | -54.9 | 173.8 | 175.2 | 166.4 | -2.1 | 0 | 0 | 111.5 | K881 T882 I883 F887 R888 E889 E935 | K881-Q885 PolarHBondContact O-N 3.24Å; T882-Q885 PolarHBondContact O-N 3.01Å; I883-Q885 VanDerWaalsContact C-N 3.3Å; I883-Q885 PolarHBondContact O-N 3.46Å; Q885-F887 VanDerWaalsContact C-N 3.25Å; Q885-F887 PolarHBondContact O-N 3.38Å; Q885-R888 PolarHBondContact O-N 2.96Å; Q885-R888 VanDerWaalsContact O-N 3.13Å; Q885-E889 WeakPolarHBondContact CG-OE1 3.43Å; Q885-E889 PolarHBondContact NE2-OE1 3.03Å; Q885-E889 WeakPolarHBondContact O-CG 3.48Å; Q885-E889 PolarHBondContact O-N 3.38Å; Q885-E935 WeakPolarHBondContact CA-OE2 3.27Å; Q885-E935 WeakPolarHBondContact CB-OE2 3.16Å |
| 886 | S | 94.8 | Very high | 93.1 | Very high | 62 Ų | 62 | 74.7 Ų | 74.7 | 43% | 0.434 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.9 | -33.3 | 179.7 | 68.2 | 0 | 0 | 0 | 0 | 113.1 | T882 I883 Y890 | T882-S886 PolarHBondContact O-N 3.23Å; T882-S886 PolarHBondContact O-OG 3.05Å; I883-S886 PolarHBondContact O-N 2.93Å; I883-S886 PolarHBondContact O-OG 3.43Å; S886-Y890 WeakPolarHBondContact O-CB 3.47Å; S886-Y890 PolarHBondContact O-N 3.36Å |
| 887 | F | 95.7 | Very high | 93.2 | Very high | 92 Ų | 92 | 74.3 Ų | 74.3 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.1 | -38.7 | 176.3 | -179.3 | -120.8 | 0 | 0 | 0 | 112.3 | I883 C884 Q885 Y890 L891 V931 | I883-F887 WeakPolarHBondContact O-CB 3.35Å; I883-F887 PolarHBondContact O-N 3.29Å; C884-F887 PolarHBondContact O-N 2.83Å; Q885-F887 VanDerWaalsContact C-N 3.25Å; Q885-F887 PolarHBondContact O-N 3.38Å; F887-Y890 PolarHBondContact O-N 3.43Å; F887-L891 HydrophobicContact CD1-CD1 4.13Å; F887-L891 HydrophobicContact CE1-CD1 3.68Å; F887-L891 HydrophobicContact CE1-CG 4.31Å; F887-L891 HydrophobicContact CE2-CD1 4.4Å; F887-L891 HydrophobicContact CE2-CD2 4.3Å; F887-L891 HydrophobicContact CE2-CG 4.15Å; F887-L891 HydrophobicContact CZ-CD1 3.82Å; F887-L891 HydrophobicContact CZ-CD2 4.15Å; F887-L891 HydrophobicContact CZ-CG 4.04Å; F887-L891 WeakPolarHBondContact O-CG 3.39Å; F887-L891 PolarHBondContact O-N 3.22Å; F887-V931 HydrophobicContact CD1-CG1 4.01Å; F887-V931 HydrophobicContact CD1-CG2 3.68Å; F887-V931 HydrophobicContact CE1-CG2 3.69Å |
| 888 | R | 94.6 | Very high | 93.1 | Very high | 52 Ų | 52 | 76.1 Ų | 76.1 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 172.4 | 179.6 | -176.8 | 58.3 | -101.7 | -2.4 | 111.5 | C884 Q885 Y890 L891 E892 V931 E935 | C884-R888 PolarHBondContact O-N 3.42Å; Q885-R888 PolarHBondContact O-N 2.96Å; Q885-R888 VanDerWaalsContact O-N 3.13Å; R888-Y890 VanDerWaalsContact C-N 3.27Å; R888-Y890 PolarHBondContact O-N 3.29Å; R888-L891 PolarHBondContact O-N 2.69Å; R888-L891 VanDerWaalsContact O-N 3.15Å; R888-E892 PolarHBondContact O-N 2.69Å; R888-V931 HydrophobicContact CB-CG1 3.94Å; R888-E935 IonicContact CZ-OE2 3.58Å; R888-E935 IonicContact NH1-OE2 2.84Å; R888-E935 PolarHBondContact NH1-OE2 2.91Å; R888-E935 IonicContact NH2-OE2 3.55Å; R888-E935 PolarHBondContact NH2-OE2 3.04Å |
| 889 | E | 94.1 | Very high | 92.8 | Very high | 98 Ų | 98 | 76.9 Ų | 76.9 | 46% | 0.458 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 178.4 | -70.5 | 165.9 | -174 | 0 | 0 | 110.8 | Q885 E892 E893 | Q885-E889 WeakPolarHBondContact CG-OE1 3.43Å; Q885-E889 PolarHBondContact NE2-OE1 3.03Å; Q885-E889 WeakPolarHBondContact O-CG 3.48Å; Q885-E889 PolarHBondContact O-N 3.38Å; E889-E892 PolarHBondContact O-N 2.88Å; E889-E893 PolarHBondContact O-N 2.8Å |
| 890 | Y | 94.8 | Very high | 92.5 | Very high | 132 Ų | 132 | 77 Ų | 77 | 52% | 0.518 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 173.6 | -177.6 | -120.9 | 0 | 0 | 0 | 114 | S886 F887 R888 E892 E893 I894 | S886-Y890 WeakPolarHBondContact O-CB 3.47Å; S886-Y890 PolarHBondContact O-N 3.36Å; F887-Y890 PolarHBondContact O-N 3.43Å; R888-Y890 VanDerWaalsContact C-N 3.27Å; R888-Y890 PolarHBondContact O-N 3.29Å; Y890-E892 VanDerWaalsContact C-N 3.3Å; Y890-E892 PolarHBondContact O-N 3.35Å; Y890-E893 PolarHBondContact O-N 2.93Å; Y890-I894 HydrophobicContact CD1-CD1 3.9Å; Y890-I894 HydrophobicContact CD2-CD1 4.43Å; Y890-I894 HydrophobicContact CE1-CD1 3.49Å; Y890-I894 VanDerWaalsContact CE1-CD1 3.49Å; Y890-I894 HydrophobicContact CE2-CD1 4.06Å; Y890-I894 HydrophobicContact CE2-CG1 4.28Å; Y890-I894 HydrophobicContact CG-CD1 4.36Å; Y890-I894 WeakPolarHBondContact O-CG1 3.14Å; Y890-I894 PolarHBondContact O-N 2.94Å |
| 891 | L | 92.7 | Very high | 92.1 | Very high | 28 Ų | 28 | 76.6 Ų | 76.6 | 15% | 0.147 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 172.2 | -76.2 | 175.7 | 0 | 0 | 0 | 111.8 | F887 R888 E895 L927 R928 V931 | F887-L891 HydrophobicContact CD1-CD1 4.13Å; F887-L891 HydrophobicContact CE1-CD1 3.68Å; F887-L891 HydrophobicContact CE1-CG 4.31Å; F887-L891 HydrophobicContact CE2-CD1 4.4Å; F887-L891 HydrophobicContact CE2-CD2 4.3Å; F887-L891 HydrophobicContact CE2-CG 4.15Å; F887-L891 HydrophobicContact CZ-CD1 3.82Å; F887-L891 HydrophobicContact CZ-CD2 4.15Å; F887-L891 HydrophobicContact CZ-CG 4.04Å; F887-L891 WeakPolarHBondContact O-CG 3.39Å; F887-L891 PolarHBondContact O-N 3.22Å; R888-L891 PolarHBondContact O-N 2.69Å; R888-L891 VanDerWaalsContact O-N 3.15Å; L891-E895 WeakPolarHBondContact O-CB 3.45Å; L891-E895 PolarHBondContact O-N 3.35Å; L891-L927 HydrophobicContact CD1-CD2 3.94Å; L891-L927 HydrophobicContact CD1-CG 4Å; L891-L927 HydrophobicContact CD2-CD2 4.12Å; L891-R928 HydrophobicContact CB-CG 4.05Å; L891-R928 HydrophobicContact CD1-CG 4.23Å; L891-V931 HydrophobicContact CD1-CG2 4.34Å |
| 892 | E | 92.6 | Very high | 91.6 | Very high | 95 Ų | 95 | 76.8 Ų | 76.8 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.8 | -42.7 | 177.3 | -164.6 | 178.4 | 153.6 | 0 | 0 | 111.6 | R888 E889 Y890 I894 E895 Q896 | R888-E892 PolarHBondContact O-N 2.69Å; E889-E892 PolarHBondContact O-N 2.88Å; Y890-E892 VanDerWaalsContact C-N 3.3Å; Y890-E892 PolarHBondContact O-N 3.35Å; E892-I894 PolarHBondContact O-N 3.16Å; E892-E895 PolarHBondContact O-N 3.22Å; E892-Q896 WeakPolarHBondContact O-CG 3.27Å; E892-Q896 PolarHBondContact O-N 2.96Å |
| 893 | E | 94.5 | Very high | 91 | Very high | 128 Ų | 128 | 75.7 Ų | 75.7 | 60% | 0.598 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -58.8 | -46.3 | 172.2 | -174.6 | -175.6 | -167 | 0 | 0 | 111.8 | E889 Y890 E895 Q896 H897 | E889-E893 PolarHBondContact O-N 2.8Å; Y890-E893 PolarHBondContact O-N 2.93Å; E893-E895 VanDerWaalsContact C-N 3.32Å; E893-E895 PolarHBondContact O-N 3.15Å; E893-Q896 PolarHBondContact O-N 3.22Å; E893-H897 PolarHBondContact O-N 3.04Å |
| 894 | I | 91.8 | Very high | 90.4 | Very high | 61 Ų | 61 | 77.6 Ų | 77.6 | 31% | 0.313 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 174.6 | -73.4 | 168.7 | 0 | 0 | 0 | 110.9 | Y890 E892 H897 L898 | Y890-I894 HydrophobicContact CD1-CD1 3.9Å; Y890-I894 HydrophobicContact CD2-CD1 4.43Å; Y890-I894 HydrophobicContact CE1-CD1 3.49Å; Y890-I894 VanDerWaalsContact CE1-CD1 3.49Å; Y890-I894 HydrophobicContact CE2-CD1 4.06Å; Y890-I894 HydrophobicContact CE2-CG1 4.28Å; Y890-I894 HydrophobicContact CG-CD1 4.36Å; Y890-I894 WeakPolarHBondContact O-CG1 3.14Å; Y890-I894 PolarHBondContact O-N 2.94Å; E892-I894 PolarHBondContact O-N 3.16Å; I894-H897 PolarHBondContact O-N 3.04Å; I894-L898 HydrophobicContact CG2-CD1 3.67Å; I894-L898 HydrophobicContact CG2-CG 4.16Å; I894-L898 WeakPolarHBondContact O-CB 3.36Å; I894-L898 VanDerWaalsContact O-CG 3.29Å; I894-L898 WeakPolarHBondContact O-CG 3.5Å; I894-L898 PolarHBondContact O-N 3.23Å |
| 895 | E | 90.3 | Very high | 89.7 | Confident | 16 Ų | 16 | 82.8 Ų | 82.8 | 8% | 0.075 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.7 | -39.2 | -177.6 | -167.5 | 168.2 | 151.1 | 0 | 0 | 112.3 | L891 E892 E893 H897 L898 M899 R924 R928 | L891-E895 WeakPolarHBondContact O-CB 3.45Å; L891-E895 PolarHBondContact O-N 3.35Å; E892-E895 PolarHBondContact O-N 3.22Å; E893-E895 VanDerWaalsContact C-N 3.32Å; E893-E895 PolarHBondContact O-N 3.15Å; E895-H897 VanDerWaalsContact C-N 3.33Å; E895-H897 PolarHBondContact O-N 3.31Å; E895-L898 PolarHBondContact O-N 3.25Å; E895-M899 WeakPolarHBondContact O-CB 3.25Å; E895-M899 PolarHBondContact O-N 3.01Å; E895-R924 WeakPolarHBondContact OE2-CB 3.28Å; E895-R928 IonicContact OE1-CZ 3.84Å; E895-R928 IonicContact OE1-NE 3.12Å; E895-R928 IonicContact OE1-NH2 3.77Å; E895-R928 PolarHBondContact OE1-NH2 3.04Å; E895-R928 IonicContact OE2-CZ 2.66Å; E895-R928 VanDerWaalsContact OE2-CZ 3.28Å; E895-R928 IonicContact OE2-NE 2.72Å; E895-R928 PolarHBondContact OE2-NE 2.84Å; E895-R928 IonicContact OE2-NH2 3.39Å; E895-R928 PolarHBondContact OE2-NH2 3.27Å |
| 896 | Q | 89.9 | Confident | 88.9 | Confident | 124 Ų | 124 | 83 Ų | 83 | 58% | 0.579 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -59 | -44.6 | 171.6 | -70.6 | 176 | 22.5 | 0 | 0 | 111.2 | E892 E893 G900 | E892-Q896 WeakPolarHBondContact O-CG 3.27Å; E892-Q896 PolarHBondContact O-N 2.96Å; E893-Q896 PolarHBondContact O-N 3.22Å; Q896-G900 PolarHBondContact O-N 3.12Å |
| 897 | H | 91.4 | Very high | 88.1 | Confident | 113 Ų | 113 | 91 Ų | 91 | 52% | 0.523 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 176.4 | 174.9 | -102.3 | 0 | 0 | 0 | 112.6 | E893 I894 E895 G900 Q901 | E893-H897 PolarHBondContact O-N 3.04Å; I894-H897 PolarHBondContact O-N 3.04Å; E895-H897 VanDerWaalsContact C-N 3.33Å; E895-H897 PolarHBondContact O-N 3.31Å; H897-G900 PolarHBondContact O-N 3.48Å; H897-Q901 PolarHBondContact CE1-NE2 3.45Å; H897-Q901 PolarHBondContact NE2-NE2 3.37Å; H897-Q901 WeakPolarHBondContact O-CG 3.43Å; H897-Q901 PolarHBondContact O-N 3.31Å |
| 898 | L | 87.4 | Confident | 87.5 | Confident | 54 Ų | 54 | 93 Ų | 93 | 28% | 0.283 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 176.9 | -74.5 | 174 | 0 | 0 | 0 | 111.8 | I894 E895 G900 Q901 Q902 | I894-L898 HydrophobicContact CG2-CD1 3.67Å; I894-L898 HydrophobicContact CG2-CG 4.16Å; I894-L898 WeakPolarHBondContact O-CB 3.36Å; I894-L898 VanDerWaalsContact O-CG 3.29Å; I894-L898 WeakPolarHBondContact O-CG 3.5Å; I894-L898 PolarHBondContact O-N 3.23Å; E895-L898 PolarHBondContact O-N 3.25Å; L898-G900 VanDerWaalsContact C-N 3.33Å; L898-G900 PolarHBondContact O-N 3.19Å; L898-Q901 PolarHBondContact O-N 3.4Å; L898-Q902 WeakPolarHBondContact O-CB 3.09Å; L898-Q902 PolarHBondContact O-N 2.97Å |
| 899 | M | 86.4 | Confident | 86.9 | Confident | 97 Ų | 97 | 93.3 Ų | 93.3 | 48% | 0.478 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 177.3 | -170.1 | -176.5 | -61.1 | 0 | 0 | 111.1 | E895 Q902 A903 | E895-M899 WeakPolarHBondContact O-CB 3.25Å; E895-M899 PolarHBondContact O-N 3.01Å; M899-Q902 PolarHBondContact O-N 3.45Å; M899-A903 WeakPolarHBondContact O-CB 3.34Å; M899-A903 PolarHBondContact O-N 2.94Å |
| 900 | G | 85.5 | Confident | 86.6 | Confident | 38 Ų | 38 | 91 Ų | 91 | 39% | 0.392 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q896 H897 L898 L904 | Q896-G900 PolarHBondContact O-N 3.12Å; H897-G900 PolarHBondContact O-N 3.48Å; L898-G900 VanDerWaalsContact C-N 3.33Å; L898-G900 PolarHBondContact O-N 3.19Å; G900-L904 WeakPolarHBondContact O-CG 3.33Å; G900-L904 PolarHBondContact O-N 3.46Å |
| 901 | Q | 85.1 | Confident | 86.2 | Confident | 93 Ų | 93 | 91.5 Ų | 91.5 | 44% | 0.435 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 174.4 | -69.4 | -163.9 | -2.6 | 0 | 0 | 112.3 | H897 L898 A903 L904 F905 | H897-Q901 PolarHBondContact CE1-NE2 3.45Å; H897-Q901 PolarHBondContact NE2-NE2 3.37Å; H897-Q901 WeakPolarHBondContact O-CG 3.43Å; H897-Q901 PolarHBondContact O-N 3.31Å; L898-Q901 PolarHBondContact O-N 3.4Å; Q901-A903 PolarHBondContact O-N 3.49Å; Q901-L904 WeakPolarHBondContact O-CB 3.48Å; Q901-L904 PolarHBondContact O-N 3.09Å; Q901-F905 WeakPolarHBondContact O-CD2 3.46Å; Q901-F905 PolarHBondContact O-N 2.84Å |
| 902 | Q | 82.9 | Confident | 86 | Confident | 63 Ų | 63 | 96.4 Ų | 96.4 | 29% | 0.294 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.3 | -34.3 | -178.5 | -165.8 | 145.4 | 45 | 0 | 0 | 112 | L898 M899 F905 S906 | L898-Q902 WeakPolarHBondContact O-CB 3.09Å; L898-Q902 PolarHBondContact O-N 2.97Å; M899-Q902 PolarHBondContact O-N 3.45Å; Q902-F905 PolarHBondContact O-N 3.32Å; Q902-S906 WeakPolarHBondContact O-CA 3.32Å; Q902-S906 WeakPolarHBondContact O-CB 3.11Å; Q902-S906 PolarHBondContact O-N 2.92Å |
| 903 | A | 82.4 | Confident | 85.7 | Confident | 62 Ų | 62 | 96.2 Ų | 96.2 | 51% | 0.512 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M899 Q901 F905 S906 | M899-A903 WeakPolarHBondContact O-CB 3.34Å; M899-A903 PolarHBondContact O-N 2.94Å; Q901-A903 PolarHBondContact O-N 3.49Å; A903-F905 VanDerWaalsContact C-N 3.34Å; A903-F905 PolarHBondContact O-N 3.09Å; A903-S906 WeakPolarHBondContact O-CB 3.28Å; A903-S906 PolarHBondContact O-N 3.47Å; A903-S906 PolarHBondContact O-OG 2.71Å |
| 904 | L | 83.9 | Confident | 85.3 | Confident | 139 Ų | 139 | 95.1 Ų | 95.1 | 73% | 0.728 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.8 | -36.2 | 179.3 | -69.3 | 169.7 | 0 | 0 | 0 | 113.2 | G900 Q901 | G900-L904 WeakPolarHBondContact O-CG 3.33Å; G900-L904 PolarHBondContact O-N 3.46Å; Q901-L904 WeakPolarHBondContact O-CB 3.48Å; Q901-L904 PolarHBondContact O-N 3.09Å |
| 905 | F | 79.7 | Confident | 85.1 | Confident | 122 Ų | 122 | 97.7 Ų | 97.7 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -98.1 | -2.6 | 179.5 | -63.3 | -69.9 | 0 | 0 | 0 | 114.2 | Q901 Q902 A903 R907 D908 M909 | Q901-F905 WeakPolarHBondContact O-CD2 3.46Å; Q901-F905 PolarHBondContact O-N 2.84Å; Q902-F905 PolarHBondContact O-N 3.32Å; A903-F905 VanDerWaalsContact C-N 3.34Å; A903-F905 PolarHBondContact O-N 3.09Å; F905-R907 PolarHBondContact O-N 3.32Å; F905-D908 PolarHBondContact O-N 2.99Å; F905-M909 WeakPolarHBondContact O-CG 3.31Å; F905-M909 PolarHBondContact O-N 3.48Å |
| 906 | S | 76.9 | Confident | 85.1 | Confident | 75 Ų | 75 | 102.6 Ų | 102.6 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -26.5 | -174.9 | 59.8 | 0 | 0 | 0 | 0 | 116.1 | Q902 A903 | Q902-S906 WeakPolarHBondContact O-CA 3.32Å; Q902-S906 WeakPolarHBondContact O-CB 3.11Å; Q902-S906 PolarHBondContact O-N 2.92Å; A903-S906 WeakPolarHBondContact O-CB 3.28Å; A903-S906 PolarHBondContact O-N 3.47Å; A903-S906 PolarHBondContact O-OG 2.71Å |
| 907 | R | 77.8 | Confident | 84.9 | Confident | 230 Ų | 230 | 97.2 Ų | 97.2 | 87% | 0.868 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -26.2 | 177.8 | -177.5 | 174.4 | -179.5 | 171.9 | 1.8 | 114.3 | F905 | F905-R907 PolarHBondContact O-N 3.32Š|
| 908 | D | 82.3 | Confident | 84.8 | Confident | 132 Ų | 132 | 97 Ų | 97 | 71% | 0.706 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -13.8 | -175.7 | -61.8 | -27.4 | 0 | 0 | 0 | 112.1 | F905 | F905-D908 PolarHBondContact O-N 2.99Š|
| 909 | M | 81.9 | Confident | 85 | Confident | 59 Ų | 59 | 100.1 Ų | 100.1 | 29% | 0.291 | 50% | 0.498 | S | S | . | . | trans | -65.1 | 136.9 | 172.6 | -59.4 | -66.2 | -79.9 | 0 | 0 | 111.5 | F905 E913 | F905-M909 WeakPolarHBondContact O-CG 3.31Å; F905-M909 PolarHBondContact O-N 3.48Å; M909-E913 HydrophobicContact CE-CB 3.78Å; M909-E913 WeakPolarHBondContact CE-O 3.41Å | ||
| 910 | S | 87.7 | Confident | 85.2 | Confident | 49 Ų | 49 | 99.2 Ų | 99.2 | 34% | 0.343 | 50% | 0.495 | S | S | . | . | trans | -73.2 | -179.6 | 169.8 | 69.2 | 0 | 0 | 0 | 0 | 112.7 | E913 R914 | S910-E913 WeakPolarHBondContact CB-OE2 3.41Å; S910-E913 PolarHBondContact N-OE2 3.42Å; S910-E913 VanDerWaalsContact OG-CD 3.24Å; S910-E913 VanDerWaalsContact OG-CG 3.28Å; S910-E913 WeakPolarHBondContact OG-CG 3.35Å; S910-E913 PolarHBondContact OG-N 3.32Å; S910-E913 PolarHBondContact OG-OE2 2.94Å; S910-R914 WeakPolarHBondContact O-CB 3.24Å; S910-R914 PolarHBondContact O-N 3.26Å | ||
| 911 | E | 86.3 | Confident | 85.4 | Confident | 144 Ų | 144 | 101.5 Ų | 101.5 | 67% | 0.673 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.9 | -45.8 | 179.7 | -171.6 | 147.4 | -119.8 | 0 | 0 | 112.2 | E913 R914 E915 | E911-E913 PolarHBondContact O-N 3.47Å; E911-R914 PolarHBondContact O-N 3.26Å; E911-R914 IonicContact OE1-NH1 2.69Å; E911-E915 PolarHBondContact O-N 3.46Å |
| 912 | E | 88.9 | Confident | 85.8 | Confident | 131 Ų | 131 | 101.8 Ų | 101.8 | 61% | 0.612 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.7 | -44.3 | 174 | -68.4 | 166.8 | 117.4 | 0 | 0 | 110.8 | K38 R914 E915 E916 | K38-E912 IonicContact NZ-OE1 3.17Å; E912-R914 PolarHBondContact O-N 2.75Å; E912-E915 PolarHBondContact O-N 3.29Å; E912-E916 PolarHBondContact O-N 2.4Å |
| 913 | E | 86.1 | Confident | 86.3 | Confident | 91 Ų | 91 | 104.3 Ų | 104.3 | 43% | 0.425 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.9 | -19.1 | 177.9 | -67.4 | 164.1 | 136 | 0 | 0 | 113.9 | M909 S910 E911 A917 | M909-E913 HydrophobicContact CE-CB 3.78Å; M909-E913 WeakPolarHBondContact CE-O 3.41Å; S910-E913 WeakPolarHBondContact CB-OE2 3.41Å; S910-E913 PolarHBondContact N-OE2 3.42Å; S910-E913 VanDerWaalsContact OG-CD 3.24Å; S910-E913 VanDerWaalsContact OG-CG 3.28Å; S910-E913 WeakPolarHBondContact OG-CG 3.35Å; S910-E913 PolarHBondContact OG-N 3.32Å; S910-E913 PolarHBondContact OG-OE2 2.94Å; E911-E913 PolarHBondContact O-N 3.47Å; E913-A917 WeakPolarHBondContact O-CB 3.49Å; E913-A917 PolarHBondContact O-N 3.22Å |
| 914 | R | 87 | Confident | 86.8 | Confident | 104 Ų | 104 | 104.6 Ų | 104.6 | 39% | 0.392 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -84.3 | -38.8 | 174 | -164.2 | -163.9 | -41.3 | 106.9 | 10.7 | 111.4 | S910 E911 E912 A917 E918 | S910-R914 WeakPolarHBondContact O-CB 3.24Å; S910-R914 PolarHBondContact O-N 3.26Å; E911-R914 PolarHBondContact O-N 3.26Å; E911-R914 IonicContact OE1-NH1 2.69Å; E912-R914 PolarHBondContact O-N 2.75Å; R914-A917 VanDerWaalsContact O-CB 3.31Å; R914-A917 WeakPolarHBondContact O-CB 3.45Å; R914-A917 PolarHBondContact O-N 3.03Å; R914-A917 VanDerWaalsContact O-N 3.14Å; R914-E918 WeakPolarHBondContact O-CG 3.29Å; R914-E918 PolarHBondContact O-N 3.47Å |
| 915 | E | 88.3 | Confident | 87.2 | Confident | 115 Ų | 115 | 102.2 Ų | 102.2 | 54% | 0.537 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 173.1 | -164 | -177.5 | 159.2 | 0 | 0 | 110.7 | E911 E912 A917 E918 Q919 | E911-E915 PolarHBondContact O-N 3.46Å; E912-E915 PolarHBondContact O-N 3.29Å; E915-A917 VanDerWaalsContact C-N 3.26Å; E915-A917 PolarHBondContact O-N 3.05Å; E915-E918 PolarHBondContact O-N 2.86Å; E915-Q919 WeakPolarHBondContact O-CB 3.35Å; E915-Q919 VanDerWaalsContact O-CG 3.29Å; E915-Q919 WeakPolarHBondContact O-CG 3.33Å; E915-Q919 PolarHBondContact O-N 2.93Å; E915-Q919 PolarHBondContact OE1-NE2 3.15Å |
| 916 | E | 88.9 | Confident | 87.9 | Confident | 119 Ų | 119 | 98.4 Ų | 98.4 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.3 | -37 | 170.6 | -72.9 | -176.2 | -176.2 | 0 | 0 | 112.2 | E912 L920 | E912-E916 PolarHBondContact O-N 2.4Å; E916-L920 WeakPolarHBondContact O-CB 3.5Å; E916-L920 WeakPolarHBondContact O-CG 3.21Å; E916-L920 PolarHBondContact O-N 3.47Å |
| 917 | A | 86.8 | Confident | 88.8 | Confident | 12 Ų | 12 | 98.3 Ų | 98.3 | 10% | 0.099 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -65.6 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E913 R914 E915 L920 Q921 | E913-A917 WeakPolarHBondContact O-CB 3.49Å; E913-A917 PolarHBondContact O-N 3.22Å; R914-A917 VanDerWaalsContact O-CB 3.31Å; R914-A917 WeakPolarHBondContact O-CB 3.45Å; R914-A917 PolarHBondContact O-N 3.03Å; R914-A917 VanDerWaalsContact O-N 3.14Å; E915-A917 VanDerWaalsContact C-N 3.26Å; E915-A917 PolarHBondContact O-N 3.05Å; A917-L920 PolarHBondContact O-N 3Å; A917-Q921 WeakPolarHBondContact O-CB 3.45Å; A917-Q921 PolarHBondContact O-N 3.03Å |
| 918 | E | 88.6 | Confident | 89.5 | Confident | 109 Ų | 109 | 89.1 Ų | 89.1 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 178.4 | -70.7 | 170.1 | -150.1 | 0 | 0 | 111.3 | R914 E915 Q921 T922 | R914-E918 WeakPolarHBondContact O-CG 3.29Å; R914-E918 PolarHBondContact O-N 3.47Å; E915-E918 PolarHBondContact O-N 2.86Å; E918-Q921 PolarHBondContact O-N 2.9Å; E918-T922 WeakPolarHBondContact O-CB 3.47Å; E918-T922 PolarHBondContact O-N 3.47Å; E918-T922 PolarHBondContact O-OG1 3.46Å |
| 919 | Q | 91.2 | Very high | 90.1 | Very high | 118 Ų | 118 | 88.3 Ų | 88.3 | 55% | 0.551 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.5 | -44.7 | 171 | -69.4 | 176.8 | 22.2 | 0 | 0 | 111.8 | E915 T922 L923 | E915-Q919 WeakPolarHBondContact O-CB 3.35Å; E915-Q919 VanDerWaalsContact O-CG 3.29Å; E915-Q919 WeakPolarHBondContact O-CG 3.33Å; E915-Q919 PolarHBondContact O-N 2.93Å; E915-Q919 PolarHBondContact OE1-NE2 3.15Å; Q919-T922 WeakPolarHBondContact O-CB 3.43Å; Q919-T922 PolarHBondContact O-N 3.34Å; Q919-L923 PolarHBondContact O-N 3.04Å |
| 920 | L | 90.6 | Very high | 90.8 | Very high | 79 Ų | 79 | 91.9 Ų | 91.9 | 41% | 0.414 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 176.6 | -75.9 | 170.4 | 0 | 0 | 0 | 112.9 | E916 A917 L923 R924 | E916-L920 WeakPolarHBondContact O-CB 3.5Å; E916-L920 WeakPolarHBondContact O-CG 3.21Å; E916-L920 PolarHBondContact O-N 3.47Å; A917-L920 PolarHBondContact O-N 3Å; L920-L923 PolarHBondContact O-N 3.2Å; L920-R924 WeakPolarHBondContact O-CD 3.5Å; L920-R924 VanDerWaalsContact O-CG 3.24Å; L920-R924 WeakPolarHBondContact O-CG 3.32Å; L920-R924 PolarHBondContact O-N 3.13Å; L920-R924 VanDerWaalsContact O-N 3.1Å |
| 921 | Q | 89.5 | Confident | 91.2 | Very high | 85 Ų | 85 | 90.1 Ų | 90.1 | 40% | 0.397 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 172.2 | -174.3 | 176.4 | 2.4 | 0 | 0 | 110.8 | A917 E918 L923 R924 E925 | A917-Q921 WeakPolarHBondContact O-CB 3.45Å; A917-Q921 PolarHBondContact O-N 3.03Å; E918-Q921 PolarHBondContact O-N 2.9Å; Q921-L923 VanDerWaalsContact C-N 3.27Å; Q921-L923 PolarHBondContact O-N 3.11Å; Q921-R924 PolarHBondContact O-N 3.38Å; Q921-R924 VanDerWaalsContact O-N 3.11Å; Q921-E925 PolarHBondContact O-N 3.45Å |
| 922 | T | 93.8 | Very high | 91.5 | Very high | 99 Ų | 99 | 84.8 Ų | 84.8 | 61% | 0.607 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -57.9 | -39.2 | 176 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | E918 Q919 A926 | E918-T922 WeakPolarHBondContact O-CB 3.47Å; E918-T922 PolarHBondContact O-N 3.47Å; E918-T922 PolarHBondContact O-OG1 3.46Å; Q919-T922 WeakPolarHBondContact O-CB 3.43Å; Q919-T922 PolarHBondContact O-N 3.34Å; T922-A926 WeakPolarHBondContact O-CB 3.36Å; T922-A926 PolarHBondContact O-N 3.04Å |
| 923 | L | 94.3 | Very high | 91.9 | Very high | 117 Ų | 117 | 82.6 Ų | 82.6 | 61% | 0.613 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.6 | -36.8 | 176 | -176.7 | 61.4 | 0 | 0 | 0 | 113.1 | Q919 L920 Q921 L927 | Q919-L923 PolarHBondContact O-N 3.04Å; L920-L923 PolarHBondContact O-N 3.2Å; Q921-L923 VanDerWaalsContact C-N 3.27Å; Q921-L923 PolarHBondContact O-N 3.11Å; L923-L927 PolarHBondContact O-N 2.6Å |
| 924 | R | 91.8 | Very high | 92.3 | Very high | 68 Ų | 68 | 82.3 Ų | 82.3 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.6 | -41.5 | 176.2 | -69.2 | 163.2 | -168.3 | 147.9 | 4.5 | 111.9 | E895 L920 Q921 L927 R928 | E895-R924 WeakPolarHBondContact OE2-CB 3.28Å; L920-R924 WeakPolarHBondContact O-CD 3.5Å; L920-R924 VanDerWaalsContact O-CG 3.24Å; L920-R924 WeakPolarHBondContact O-CG 3.32Å; L920-R924 PolarHBondContact O-N 3.13Å; L920-R924 VanDerWaalsContact O-N 3.1Å; Q921-R924 PolarHBondContact O-N 3.38Å; Q921-R924 VanDerWaalsContact O-N 3.11Å; R924-L927 PolarHBondContact O-N 2.95Å; R924-R928 PolarHBondContact O-N 2.98Å |
| 925 | E | 92.7 | Very high | 92.8 | Very high | 89 Ų | 89 | 78.5 Ų | 78.5 | 42% | 0.416 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.3 | -49.2 | 171.5 | -173.4 | 63.5 | -110.3 | 0 | 0 | 111 | Q921 L927 R928 Q929 | Q921-E925 PolarHBondContact O-N 3.45Å; E925-L927 VanDerWaalsContact C-N 3.29Å; E925-L927 PolarHBondContact O-N 3.42Å; E925-R928 VanDerWaalsContact CD-NH2 3.32Å; E925-R928 PolarHBondContact O-N 2.89Å; E925-R928 IonicContact OE1-CZ 2.74Å; E925-R928 IonicContact OE1-NH1 2.64Å; E925-R928 PolarHBondContact OE1-NH1 3.25Å; E925-R928 IonicContact OE1-NH2 2.7Å; E925-R928 IonicContact OE2-CZ 3.99Å; E925-R928 IonicContact OE2-NH1 2.98Å; E925-R928 PolarHBondContact OE2-NH1 3.23Å; E925-R928 VanDerWaalsContact OE2-NH1 3.17Å; E925-R928 IonicContact OE2-NH2 3.28Å; E925-R928 PolarHBondContact OE2-NH2 3.44Å; E925-Q929 WeakPolarHBondContact O-CB 3.41Å; E925-Q929 PolarHBondContact O-N 3.47Å |
| 926 | A | 95.4 | Very high | 93.1 | Very high | 41 Ų | 41 | 79.3 Ų | 79.3 | 34% | 0.339 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60 | -36.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T922 Q930 | T922-A926 WeakPolarHBondContact O-CB 3.36Å; T922-A926 PolarHBondContact O-N 3.04Å; A926-Q930 WeakPolarHBondContact O-CG 3.45Å; A926-Q930 PolarHBondContact O-N 2.88Å |
| 927 | L | 95.1 | Very high | 93.4 | Very high | 73 Ų | 73 | 78.7 Ų | 78.7 | 38% | 0.382 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67 | -48.2 | 174.1 | -179.9 | 64.3 | 0 | 0 | 0 | 111.7 | L891 L923 R924 E925 Q929 Q930 V931 | L891-L927 HydrophobicContact CD1-CD2 3.94Å; L891-L927 HydrophobicContact CD1-CG 4Å; L891-L927 HydrophobicContact CD2-CD2 4.12Å; L923-L927 PolarHBondContact O-N 2.6Å; R924-L927 PolarHBondContact O-N 2.95Å; E925-L927 VanDerWaalsContact C-N 3.29Å; E925-L927 PolarHBondContact O-N 3.42Å; L927-Q929 VanDerWaalsContact C-N 3.29Å; L927-Q929 PolarHBondContact O-N 3.17Å; L927-Q930 PolarHBondContact O-N 3.04Å; L927-V931 WeakPolarHBondContact O-CG2 3.4Å; L927-V931 PolarHBondContact O-N 3.25Å |
| 928 | R | 92.9 | Very high | 93.7 | Very high | 38 Ų | 38 | 79.3 Ų | 79.3 | 14% | 0.143 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.7 | -41 | 176.3 | -77.8 | -170.4 | -75.2 | 90.2 | -1.7 | 111.5 | L891 E895 R924 E925 V931 A932 | L891-R928 HydrophobicContact CB-CG 4.05Å; L891-R928 HydrophobicContact CD1-CG 4.23Å; E895-R928 IonicContact OE1-CZ 3.84Å; E895-R928 IonicContact OE1-NE 3.12Å; E895-R928 IonicContact OE1-NH2 3.77Å; E895-R928 PolarHBondContact OE1-NH2 3.04Å; E895-R928 IonicContact OE2-CZ 2.66Å; E895-R928 VanDerWaalsContact OE2-CZ 3.28Å; E895-R928 IonicContact OE2-NE 2.72Å; E895-R928 PolarHBondContact OE2-NE 2.84Å; E895-R928 IonicContact OE2-NH2 3.39Å; E895-R928 PolarHBondContact OE2-NH2 3.27Å; R924-R928 PolarHBondContact O-N 2.98Å; E925-R928 VanDerWaalsContact CD-NH2 3.32Å; E925-R928 PolarHBondContact O-N 2.89Å; E925-R928 IonicContact OE1-CZ 2.74Å; E925-R928 IonicContact OE1-NH1 2.64Å; E925-R928 PolarHBondContact OE1-NH1 3.25Å; E925-R928 IonicContact OE1-NH2 2.7Å; E925-R928 IonicContact OE2-CZ 3.99Å; E925-R928 IonicContact OE2-NH1 2.98Å; E925-R928 PolarHBondContact OE2-NH1 3.23Å; E925-R928 VanDerWaalsContact OE2-NH1 3.17Å; E925-R928 IonicContact OE2-NH2 3.28Å; E925-R928 PolarHBondContact OE2-NH2 3.44Å; R928-V931 PolarHBondContact O-N 2.98Å; R928-A932 WeakPolarHBondContact O-CB 3.2Å; R928-A932 PolarHBondContact O-N 3.3Å |
| 929 | Q | 94.8 | Very high | 93.9 | Very high | 115 Ų | 115 | 74.7 Ų | 74.7 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 176.2 | -173.8 | 59.9 | 36.8 | 0 | 0 | 112.6 | E925 L927 A932 E933 | E925-Q929 WeakPolarHBondContact O-CB 3.41Å; E925-Q929 PolarHBondContact O-N 3.47Å; L927-Q929 VanDerWaalsContact C-N 3.29Å; L927-Q929 PolarHBondContact O-N 3.17Å; Q929-A932 PolarHBondContact O-N 3.48Å; Q929-E933 WeakPolarHBondContact O-CB 3.46Å; Q929-E933 PolarHBondContact O-N 2.7Å |
| 930 | Q | 96.3 | Very high | 94.1 | Very high | 133 Ų | 133 | 73.1 Ų | 73.1 | 62% | 0.621 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.4 | -38.3 | 174.2 | -74.8 | 175.3 | 38 | 0 | 0 | 112.5 | A926 L927 L934 | A926-Q930 WeakPolarHBondContact O-CG 3.45Å; A926-Q930 PolarHBondContact O-N 2.88Å; L927-Q930 PolarHBondContact O-N 3.04Å; Q930-L934 WeakPolarHBondContact O-CB 3.3Å; Q930-L934 PolarHBondContact O-N 3.47Å |
| 931 | V | 95.4 | Very high | 94.1 | Very high | 12 Ų | 12 | 76 Ų | 76 | 7% | 0.073 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.6 | -38.2 | 175.8 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | C884 F887 R888 L891 L927 R928 L934 E935 | C884-V931 HydrophobicContact CB-CG1 4.26Å; C884-V931 WeakPolarHBondContact O-CG1 3.3Å; F887-V931 HydrophobicContact CD1-CG1 4.01Å; F887-V931 HydrophobicContact CD1-CG2 3.68Å; F887-V931 HydrophobicContact CE1-CG2 3.69Å; R888-V931 HydrophobicContact CB-CG1 3.94Å; L891-V931 HydrophobicContact CD1-CG2 4.34Å; L927-V931 WeakPolarHBondContact O-CG2 3.4Å; L927-V931 PolarHBondContact O-N 3.25Å; R928-V931 PolarHBondContact O-N 2.98Å; V931-L934 PolarHBondContact O-N 3.39Å; V931-E935 PolarHBondContact O-N 3Å |
| 932 | A | 93.8 | Very high | 94.2 | Very high | 32 Ų | 32 | 72 Ų | 72 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R928 Q929 E935 F936 | R928-A932 WeakPolarHBondContact O-CB 3.2Å; R928-A932 PolarHBondContact O-N 3.3Å; Q929-A932 PolarHBondContact O-N 3.48Å; A932-E935 PolarHBondContact O-N 3.34Å; A932-F936 PolarHBondContact O-N 3.06Å |
| 933 | E | 96.4 | Very high | 94 | Very high | 85 Ų | 85 | 71.6 Ų | 71.6 | 40% | 0.397 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 174 | 179.8 | 60.7 | -151.1 | 0 | 0 | 111.5 | Q929 F936 Q937 | Q929-E933 WeakPolarHBondContact O-CB 3.46Å; Q929-E933 PolarHBondContact O-N 2.7Å; E933-F936 PolarHBondContact O-N 3.41Å; E933-Q937 WeakPolarHBondContact O-CG 3.49Å; E933-Q937 PolarHBondContact O-N 3.34Å; E933-Q937 PolarHBondContact OE1-NE2 2.78Å |
| 934 | L | 96 | Very high | 93.9 | Very high | 85 Ų | 85 | 72 Ų | 72 | 45% | 0.445 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 175.6 | -179.2 | 60.8 | 0 | 0 | 0 | 112.1 | Q930 V931 F936 Q937 L938 | Q930-L934 WeakPolarHBondContact O-CB 3.3Å; Q930-L934 PolarHBondContact O-N 3.47Å; V931-L934 PolarHBondContact O-N 3.39Å; L934-F936 VanDerWaalsContact C-N 3.33Å; L934-F936 PolarHBondContact O-N 2.9Å; L934-Q937 PolarHBondContact O-N 2.99Å; L934-L938 HydrophobicContact CD1-CD1 4.15Å; L934-L938 HydrophobicContact CD1-CG 4.27Å; L934-L938 HydrophobicContact CG-CD1 3.98Å; L934-L938 WeakPolarHBondContact O-CB 3.45Å; L934-L938 WeakPolarHBondContact O-CD1 3.22Å; L934-L938 VanDerWaalsContact O-CG 3.23Å; L934-L938 WeakPolarHBondContact O-CG 3.33Å; L934-L938 PolarHBondContact O-N 2.84Å |
| 935 | E | 95.9 | Very high | 93.6 | Very high | 24 Ų | 24 | 70.7 Ų | 70.7 | 11% | 0.112 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 173.8 | -165.5 | -156.7 | 122 | 0 | 0 | 111.5 | K881 C884 Q885 R888 V931 A932 L938 G939 | K881-E935 HydrophobicContact CD-CG 4.36Å; K881-E935 WeakPolarHBondContact CE-OE1 3.48Å; K881-E935 HydrophobicContact CG-CG 3.41Å; K881-E935 VanDerWaalsContact CG-CG 3.41Å; K881-E935 IonicContact NZ-OE1 2.85Å; K881-E935 PolarHBondContact NZ-OE1 3.48Å; C884-E935 HydrophobicContact CB-CB 4.07Å; C884-E935 HydrophobicContact CB-CG 4.35Å; Q885-E935 WeakPolarHBondContact CA-OE2 3.27Å; Q885-E935 WeakPolarHBondContact CB-OE2 3.16Å; R888-E935 IonicContact CZ-OE2 3.58Å; R888-E935 IonicContact NH1-OE2 2.84Å; R888-E935 PolarHBondContact NH1-OE2 2.91Å; R888-E935 IonicContact NH2-OE2 3.55Å; R888-E935 PolarHBondContact NH2-OE2 3.04Å; V931-E935 PolarHBondContact O-N 3Å; A932-E935 PolarHBondContact O-N 3.34Å; E935-L938 PolarHBondContact O-N 3.26Å; E935-G939 PolarHBondContact O-N 2.99Å |
| 936 | F | 94.8 | Very high | 93.3 | Very high | 133 Ų | 133 | 69.9 Ų | 69.9 | 58% | 0.583 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.5 | -49 | 178 | 179 | -100.8 | 0 | 0 | 0 | 111.5 | A932 E933 L934 L938 G939 D940 | A932-F936 PolarHBondContact O-N 3.06Å; E933-F936 PolarHBondContact O-N 3.41Å; L934-F936 VanDerWaalsContact C-N 3.33Å; L934-F936 PolarHBondContact O-N 2.9Å; F936-L938 VanDerWaalsContact C-N 3.34Å; F936-L938 PolarHBondContact O-N 3.07Å; F936-G939 PolarHBondContact O-N 2.92Å; F936-D940 WeakPolarHBondContact O-CB 3.34Å; F936-D940 PolarHBondContact O-N 3.44Å |
| 937 | Q | 95.6 | Very high | 92.9 | Very high | 105 Ų | 105 | 72.5 Ų | 72.5 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 177.9 | -71.2 | -179.6 | 18.8 | 0 | 0 | 112.8 | E933 L934 R941 | E933-Q937 WeakPolarHBondContact O-CG 3.49Å; E933-Q937 PolarHBondContact O-N 3.34Å; E933-Q937 PolarHBondContact OE1-NE2 2.78Å; L934-Q937 PolarHBondContact O-N 2.99Å; Q937-R941 VanDerWaalsContact O-CB 3.24Å; Q937-R941 WeakPolarHBondContact O-CB 3.17Å; Q937-R941 PolarHBondContact O-N 2.78Å |
| 938 | L | 94 | Very high | 92.4 | Very high | 25 Ų | 25 | 70.8 Ų | 70.8 | 13% | 0.131 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 174 | -73.4 | 166.1 | 0 | 0 | 0 | 111.4 | M877 M880 K881 L934 E935 F936 A942 | M877-L938 HydrophobicContact CE-CD2 4.12Å; M877-L938 VanDerWaalsContact CE-O 3.3Å; M877-L938 WeakPolarHBondContact CE-O 3.4Å; M880-L938 HydrophobicContact CB-CD1 3.9Å; M880-L938 HydrophobicContact CB-CD2 4.16Å; M880-L938 HydrophobicContact CG-CD1 3.51Å; M880-L938 HydrophobicContact CG-CD2 4.03Å; M880-L938 HydrophobicContact CG-CG 4.44Å; K881-L938 HydrophobicContact CB-CB 4.32Å; L934-L938 HydrophobicContact CD1-CD1 4.15Å; L934-L938 HydrophobicContact CD1-CG 4.27Å; L934-L938 HydrophobicContact CG-CD1 3.98Å; L934-L938 WeakPolarHBondContact O-CB 3.45Å; L934-L938 WeakPolarHBondContact O-CD1 3.22Å; L934-L938 VanDerWaalsContact O-CG 3.23Å; L934-L938 WeakPolarHBondContact O-CG 3.33Å; L934-L938 PolarHBondContact O-N 2.84Å; E935-L938 PolarHBondContact O-N 3.26Å; F936-L938 VanDerWaalsContact C-N 3.34Å; F936-L938 PolarHBondContact O-N 3.07Å; L938-A942 WeakPolarHBondContact O-CB 3.4Å; L938-A942 PolarHBondContact O-N 3.3Å |
| 939 | G | 92.8 | Very high | 91.9 | Very high | 13 Ų | 13 | 70.3 Ų | 70.3 | 13% | 0.134 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -49.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E935 F936 A942 Q943 | E935-G939 PolarHBondContact O-N 2.99Å; F936-G939 PolarHBondContact O-N 2.92Å; G939-A942 PolarHBondContact O-N 2.98Å; G939-Q943 WeakPolarHBondContact O-CB 3.4Å; G939-Q943 PolarHBondContact O-N 2.91Å |
| 940 | D | 93.8 | Very high | 91.2 | Very high | 84 Ų | 84 | 70 Ų | 70 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.7 | -50 | 179.8 | 178.6 | 74.7 | 0 | 0 | 0 | 111.5 | F936 A942 Q943 Q944 | F936-D940 WeakPolarHBondContact O-CB 3.34Å; F936-D940 PolarHBondContact O-N 3.44Å; D940-A942 VanDerWaalsContact C-N 3.32Å; D940-A942 PolarHBondContact O-N 3Å; D940-Q943 CarbonylContact O-C 3.5Å; D940-Q943 WeakPolarHBondContact O-CB 3.34Å; D940-Q943 PolarHBondContact O-N 2.81Å; D940-Q943 VanDerWaalsContact O-N 3.11Å; D940-Q944 WeakPolarHBondContact O-CB 3.41Å; D940-Q944 PolarHBondContact O-N 3.09Å |
| 941 | R | 92.3 | Very high | 90.5 | Very high | 140 Ų | 140 | 68.5 Ų | 68.5 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67 | -32 | 178.9 | 178.9 | -176.1 | -177.1 | -90.2 | 3.7 | 112.1 | M877 Q937 I945 | M877-R941 HydrophobicContact CE-CB 3.59Å; M877-R941 HydrophobicContact CE-CG 3.61Å; M877-R941 HydrophobicContact SD-CG 4.32Å; M877-R941 PolarHBondContact SD-NH1 3.12Å; Q937-R941 VanDerWaalsContact O-CB 3.24Å; Q937-R941 WeakPolarHBondContact O-CB 3.17Å; Q937-R941 PolarHBondContact O-N 2.78Å; R941-I945 HydrophobicContact CG-CD1 4.24Å; R941-I945 WeakPolarHBondContact O-CD1 3.25Å; R941-I945 VanDerWaalsContact O-CG1 3.25Å; R941-I945 WeakPolarHBondContact O-CG1 3.48Å; R941-I945 PolarHBondContact O-N 2.99Å; R941-I945 VanDerWaalsContact O-N 3.08Å |
| 942 | A | 90.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.008 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V874 M877 E878 L938 G939 D940 I945 R946 | V874-A942 HydrophobicContact CG1-CB 4.21Å; M877-A942 HydrophobicContact CB-CB 3.95Å; M877-A942 HydrophobicContact CE-CB 4.27Å; M877-A942 HydrophobicContact SD-CB 4.46Å; E878-A942 HydrophobicContact CG-CB 4.46Å; L938-A942 WeakPolarHBondContact O-CB 3.4Å; L938-A942 PolarHBondContact O-N 3.3Å; G939-A942 PolarHBondContact O-N 2.98Å; D940-A942 VanDerWaalsContact C-N 3.32Å; D940-A942 PolarHBondContact O-N 3Å; A942-I945 PolarHBondContact O-N 3.41Å; A942-R946 WeakPolarHBondContact O-CG 3.49Å; A942-R946 PolarHBondContact O-N 3.22Å; A942-R946 VanDerWaalsContact O-N 3.12Å |
| 943 | Q | 90 | Very high | 88.5 | Confident | 90 Ų | 90 | 74.1 Ų | 74.1 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 173.8 | -179.2 | 166.9 | -21.7 | 0 | 0 | 112.1 | G939 D940 I945 R946 E947 | G939-Q943 WeakPolarHBondContact O-CB 3.4Å; G939-Q943 PolarHBondContact O-N 2.91Å; D940-Q943 CarbonylContact O-C 3.5Å; D940-Q943 WeakPolarHBondContact O-CB 3.34Å; D940-Q943 PolarHBondContact O-N 2.81Å; D940-Q943 VanDerWaalsContact O-N 3.11Å; Q943-I945 VanDerWaalsContact C-N 3.27Å; Q943-I945 PolarHBondContact O-N 2.83Å; Q943-R946 WeakPolarHBondContact O-CB 3.43Å; Q943-R946 PolarHBondContact O-N 3.4Å; Q943-R946 VanDerWaalsContact O-N 3.11Å; Q943-E947 HydrophobicContact CG-CG 4.29Å; Q943-E947 VanDerWaalsContact CG-OE1 3.24Å; Q943-E947 WeakPolarHBondContact CG-OE1 3.42Å; Q943-E947 PolarHBondContact NE2-OE1 3.23Å; Q943-E947 WeakPolarHBondContact O-CG 3.47Å; Q943-E947 PolarHBondContact O-N 2.92Å |
| 944 | Q | 90.8 | Very high | 87.4 | Confident | 127 Ų | 127 | 76 Ų | 76 | 59% | 0.593 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.1 | -37.8 | 176.4 | -175.7 | -179.6 | 79.3 | 0 | 0 | 112.3 | D940 G948 | D940-Q944 WeakPolarHBondContact O-CB 3.41Å; D940-Q944 PolarHBondContact O-N 3.09Å; Q944-G948 PolarHBondContact O-N 3.25Å |
| 945 | I | 86.7 | Confident | 86.3 | Confident | 39 Ų | 39 | 77.5 Ų | 77.5 | 20% | 0.2 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 175.1 | -68.5 | 164.4 | 0 | 0 | 0 | 110.8 | V874 M877 R941 A942 Q943 G948 I949 | V874-I945 HydrophobicContact CG2-CB 4.17Å; V874-I945 HydrophobicContact CG2-CG2 3.58Å; M877-I945 HydrophobicContact SD-CD1 3.88Å; R941-I945 HydrophobicContact CG-CD1 4.24Å; R941-I945 WeakPolarHBondContact O-CD1 3.25Å; R941-I945 VanDerWaalsContact O-CG1 3.25Å; R941-I945 WeakPolarHBondContact O-CG1 3.48Å; R941-I945 PolarHBondContact O-N 2.99Å; R941-I945 VanDerWaalsContact O-N 3.08Å; A942-I945 PolarHBondContact O-N 3.41Å; Q943-I945 VanDerWaalsContact C-N 3.27Å; Q943-I945 PolarHBondContact O-N 2.83Å; I945-G948 PolarHBondContact O-N 3.36Å; I945-I949 HydrophobicContact CG2-CD1 3.81Å; I945-I949 VanDerWaalsContact O-CG1 3.3Å; I945-I949 WeakPolarHBondContact O-CG1 3.3Å; I945-I949 PolarHBondContact O-N 3.37Å |
| 946 | R | 85.6 | Confident | 84.6 | Confident | 73 Ų | 73 | 81.6 Ų | 81.6 | 28% | 0.275 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.9 | -48.8 | 175.3 | -70.8 | -176.4 | -67.1 | -99.7 | 12.3 | 112.3 | V874 E878 A942 Q943 I949 L950 | V874-R946 HydrophobicContact CB-CG 4.48Å; V874-R946 HydrophobicContact CG1-CG 3.64Å; V874-R946 HydrophobicContact CG2-CG 4.07Å; E878-R946 IonicContact OE1-CZ 2.69Å; E878-R946 IonicContact OE1-NH1 3.72Å; E878-R946 PolarHBondContact OE1-NH1 3.02Å; E878-R946 IonicContact OE1-NH2 3.42Å; A942-R946 WeakPolarHBondContact O-CG 3.49Å; A942-R946 PolarHBondContact O-N 3.22Å; A942-R946 VanDerWaalsContact O-N 3.12Å; Q943-R946 WeakPolarHBondContact O-CB 3.43Å; Q943-R946 PolarHBondContact O-N 3.4Å; Q943-R946 VanDerWaalsContact O-N 3.11Å; R946-I949 PolarHBondContact O-N 2.89Å; R946-L950 WeakPolarHBondContact O-CB 3.31Å; R946-L950 WeakPolarHBondContact O-CG 3.39Å; R946-L950 PolarHBondContact O-N 2.78Å |
| 947 | E | 87.2 | Confident | 82.8 | Confident | 96 Ų | 96 | 78.6 Ų | 78.6 | 45% | 0.449 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | -179.5 | -70.9 | 178.4 | -170.1 | 0 | 0 | 111.6 | Q943 L950 L951 | Q943-E947 HydrophobicContact CG-CG 4.29Å; Q943-E947 VanDerWaalsContact CG-OE1 3.24Å; Q943-E947 WeakPolarHBondContact CG-OE1 3.42Å; Q943-E947 PolarHBondContact NE2-OE1 3.23Å; Q943-E947 WeakPolarHBondContact O-CG 3.47Å; Q943-E947 PolarHBondContact O-N 2.92Å; E947-L950 PolarHBondContact O-N 2.95Å; E947-L951 WeakPolarHBondContact O-CB 3.41Å; E947-L951 VanDerWaalsContact O-CG 3.3Å; E947-L951 WeakPolarHBondContact O-CG 3.23Å; E947-L951 PolarHBondContact O-N 3.06Å |
| 948 | G | 85.9 | Confident | 80.7 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 37% | 0.371 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q944 I945 Q952 | Q944-G948 PolarHBondContact O-N 3.25Å; I945-G948 PolarHBondContact O-N 3.36Å; G948-Q952 WeakPolarHBondContact O-CB 3.4Å; G948-Q952 PolarHBondContact O-N 3.32Å |
| 949 | I | 81.4 | Confident | 78.6 | Confident | 29 Ų | 29 | 84.4 Ų | 84.4 | 15% | 0.149 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -69.3 | -40.1 | 176.4 | -66.7 | 168.3 | 0 | 0 | 0 | 110.9 | V866 C870 I945 R946 Q952 L953 | V866-I949 HydrophobicContact CB-CG2 4.31Å; V866-I949 HydrophobicContact CG1-CG2 3.86Å; V866-I949 HydrophobicContact CG2-CG2 3.88Å; C870-I949 VanDerWaalsContact SG-CD1 3.58Å; I945-I949 HydrophobicContact CG2-CD1 3.81Å; I945-I949 VanDerWaalsContact O-CG1 3.3Å; I945-I949 WeakPolarHBondContact O-CG1 3.3Å; I945-I949 PolarHBondContact O-N 3.37Å; R946-I949 PolarHBondContact O-N 2.89Å; I949-Q952 PolarHBondContact O-N 3.16Å; I949-L953 PolarHBondContact O-N 3.36Å |
| 950 | L | 80.2 | Confident | 76.2 | Confident | 107 Ų | 107 | 89.4 Ų | 89.4 | 56% | 0.56 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60 | -48.4 | 174 | -84.6 | 162.9 | 0 | 0 | 0 | 112.2 | R946 E947 Q952 L953 E954 | R946-L950 WeakPolarHBondContact O-CB 3.31Å; R946-L950 WeakPolarHBondContact O-CG 3.39Å; R946-L950 PolarHBondContact O-N 2.78Å; E947-L950 PolarHBondContact O-N 2.95Å; L950-Q952 VanDerWaalsContact C-N 3.32Å; L950-Q952 PolarHBondContact O-N 2.91Å; L950-L953 WeakPolarHBondContact O-CB 3.48Å; L950-L953 PolarHBondContact O-N 3.14Å; L950-L953 VanDerWaalsContact O-N 3.15Å; L950-E954 PolarHBondContact O-N 3.35Å |
| 951 | L | 82.3 | Confident | 73.7 | Confident | 103 Ų | 103 | 90.4 Ų | 90.4 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 176.7 | -72.3 | 167.1 | 0 | 0 | 0 | 111.9 | E947 L953 E954 V955 | E947-L951 WeakPolarHBondContact O-CB 3.41Å; E947-L951 VanDerWaalsContact O-CG 3.3Å; E947-L951 WeakPolarHBondContact O-CG 3.23Å; E947-L951 PolarHBondContact O-N 3.06Å; L951-L953 VanDerWaalsContact C-N 3.31Å; L951-E954 PolarHBondContact O-N 2.97Å; L951-V955 WeakPolarHBondContact O-CG2 3.45Å; L951-V955 PolarHBondContact O-N 2.99Å |
| 952 | Q | 76.3 | Confident | 71.4 | Confident | 133 Ų | 133 | 92.2 Ų | 92.2 | 62% | 0.621 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.8 | -32.6 | 175.1 | -168 | 168.6 | 12.9 | 0 | 0 | 112 | G948 I949 L950 L956 | G948-Q952 WeakPolarHBondContact O-CB 3.4Å; G948-Q952 PolarHBondContact O-N 3.32Å; I949-Q952 PolarHBondContact O-N 3.16Å; L950-Q952 VanDerWaalsContact C-N 3.32Å; L950-Q952 PolarHBondContact O-N 2.91Å; Q952-L956 WeakPolarHBondContact O-CD1 3.12Å; Q952-L956 VanDerWaalsContact O-CG 3.27Å; Q952-L956 WeakPolarHBondContact O-CG 3.37Å; Q952-L956 PolarHBondContact O-N 3.2Å |
| 953 | L | 70.3 | Confident | 69.2 | Low | 28 Ų | 28 | 99.8 Ų | 99.8 | 15% | 0.147 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -71 | -39.9 | 172.2 | -160.8 | 71.5 | 0 | 0 | 0 | 112.2 | Q862 V866 I949 L950 L951 V955 L956 T957 | Q862-L953 HydrophobicContact CB-CD1 3.79Å; Q862-L953 HydrophobicContact CG-CD1 4.1Å; V866-L953 HydrophobicContact CG2-CB 4.28Å; V866-L953 HydrophobicContact CG2-CD1 3.45Å; V866-L953 VanDerWaalsContact CG2-CD1 3.45Å; V866-L953 HydrophobicContact CG2-CD2 3.99Å; V866-L953 HydrophobicContact CG2-CG 4.09Å; I949-L953 PolarHBondContact O-N 3.36Å; L950-L953 WeakPolarHBondContact O-CB 3.48Å; L950-L953 PolarHBondContact O-N 3.14Å; L950-L953 VanDerWaalsContact O-N 3.15Å; L951-L953 VanDerWaalsContact C-N 3.31Å; L953-V955 VanDerWaalsContact C-N 3.34Å; L953-V955 PolarHBondContact O-N 3.02Å; L953-L956 CarbonylContact O-C 3.58Å; L953-L956 WeakPolarHBondContact O-CA 3.4Å; L953-L956 PolarHBondContact O-N 3.24Å; L953-T957 HydrophobicContact CG-CG2 4.47Å; L953-T957 WeakPolarHBondContact O-CB 3.46Å; L953-T957 WeakPolarHBondContact O-CG2 3.45Å; L953-T957 PolarHBondContact O-N 2.9Å; L953-T957 PolarHBondContact O-OG1 3.49Å |
| 954 | E | 73.4 | Confident | 66.7 | Low | 125 Ų | 125 | 105.9 Ų | 105.9 | 58% | 0.584 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 176 | -170 | 171.1 | -157 | 0 | 0 | 110.8 | L950 L951 L956 T957 A958 | L950-E954 PolarHBondContact O-N 3.35Å; L951-E954 PolarHBondContact O-N 2.97Å; E954-L956 PolarHBondContact O-N 3.49Å; E954-T957 WeakPolarHBondContact CA-OG1 3.5Å; E954-T957 PolarHBondContact O-N 2.88Å; E954-T957 VanDerWaalsContact O-N 3.14Å; E954-T957 PolarHBondContact O-OG1 3.06Å; E954-A958 WeakPolarHBondContact O-CB 3.39Å; E954-A958 PolarHBondContact O-N 3.5Å |
| 955 | V | 72.4 | Confident | 64.3 | Low | 116 Ų | 116 | 104.8 Ų | 104.8 | 70% | 0.703 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.6 | -26.9 | 172.6 | 172.2 | 0 | 0 | 0 | 0 | 113.1 | L951 L953 | L951-V955 WeakPolarHBondContact O-CG2 3.45Å; L951-V955 PolarHBondContact O-N 2.99Å; L953-V955 VanDerWaalsContact C-N 3.34Å; L953-V955 PolarHBondContact O-N 3.02Å |
| 956 | L | 60.4 | Low | 61.9 | Low | 111 Ų | 111 | 109.5 Ų | 109.5 | 58% | 0.581 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -90.9 | -4.6 | 176.3 | -71.1 | 171.4 | 0 | 0 | 0 | 114.3 | Q862 Q952 L953 E954 | Q862-L956 PolarHBondContact NE2-O 3.42Å; Q952-L956 WeakPolarHBondContact O-CD1 3.12Å; Q952-L956 VanDerWaalsContact O-CG 3.27Å; Q952-L956 WeakPolarHBondContact O-CG 3.37Å; Q952-L956 PolarHBondContact O-N 3.2Å; L953-L956 CarbonylContact O-C 3.58Å; L953-L956 WeakPolarHBondContact O-CA 3.4Å; L953-L956 PolarHBondContact O-N 3.24Å; E954-L956 PolarHBondContact O-N 3.49Å |
| 957 | T | 57.4 | Low | 59.5 | Low | 70 Ų | 70 | 113.8 Ų | 113.8 | 43% | 0.429 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -121.2 | -8.5 | 178.9 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | Q862 L953 E954 E959 | Q862-T957 VanDerWaalsContact OE1-CG2 3.28Å; L953-T957 HydrophobicContact CG-CG2 4.47Å; L953-T957 WeakPolarHBondContact O-CB 3.46Å; L953-T957 WeakPolarHBondContact O-CG2 3.45Å; L953-T957 PolarHBondContact O-N 2.9Å; L953-T957 PolarHBondContact O-OG1 3.49Å; E954-T957 WeakPolarHBondContact CA-OG1 3.5Å; E954-T957 PolarHBondContact O-N 2.88Å; E954-T957 VanDerWaalsContact O-N 3.14Å; E954-T957 PolarHBondContact O-OG1 3.06Å; T957-E959 PolarHBondContact O-N 3.39Å |
| 958 | A | 51.3 | Low | 56.9 | Low | 74 Ų | 74 | 116.8 Ų | 116.8 | 61% | 0.612 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -58.8 | 114.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | E954 | E954-A958 WeakPolarHBondContact O-CB 3.39Å; E954-A958 PolarHBondContact O-N 3.5Å |
| 959 | E | 49.3 | Very low | 54.4 | Low | 178 Ų | 178 | 123 Ų | 123 | 83% | 0.832 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 144.5 | 175.1 | -70.3 | -170.6 | 139 | 0 | 0 | 111 | T957 | T957-E959 PolarHBondContact O-N 3.39Š|
| 960 | P | 43.2 | Very low | 51.8 | Low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 129.8 | 171.3 | 27.5 | -33.7 | 0 | 0 | 0 | 109.2 | E962 | P960-E962 PolarHBondContact O-N 2.69Š|
| 961 | P | 39.7 | Very low | 49.5 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 139.8 | -174.1 | 23.6 | -34 | 0 | 0 | 0 | 111.9 | H963 | P961-H963 VanDerWaalsContact C-N 3.25Å; P961-H963 PolarHBondContact O-N 2.95Å |
| 962 | E | 44.8 | Very low | 46.9 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | trans | -65.4 | 73.5 | -178.9 | -68.7 | -163 | 136.5 | 0 | 0 | 113.1 | P960 | P960-E962 PolarHBondContact O-N 2.69Š| ||
| 963 | H | 44 | Very low | 44.6 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | trans | -120.1 | 33.9 | -172.4 | -90.5 | -14.1 | 0 | 0 | 0 | 115.1 | P961 | P961-H963 VanDerWaalsContact C-N 3.25Å; P961-H963 PolarHBondContact O-N 2.95Å | ||
| 964 | Y | 37.1 | Very low | 42.7 | Very low | 218 Ų | 218 | 146.6 Ų | 146.6 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | trans | -131.5 | 26.1 | 164.4 | -86.4 | -70 | 0 | 0 | 0 | 116.3 | N966 | Y964-N966 PolarHBondContact O-N 3.09Š| ||
| 965 | S | 40.8 | Very low | 40.5 | Very low | 104 Ų | 104 | 150.1 Ų | 150.1 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -74.5 | 39.1 | 168.2 | -62.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 966 | N | 37.9 | Very low | 38.5 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | -155.5 | 69.9 | 177.6 | -100.7 | -55.5 | 0 | 0 | 0 | 112.3 | Y964 | Y964-N966 PolarHBondContact O-N 3.09Š| ||
| 967 | L | 34.2 | Very low | 37 | Very low | 163 Ų | 163 | 151 Ų | 151 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -110 | 109.9 | 156.8 | -154.8 | 77.7 | 0 | 0 | 0 | 109 | Q969 | L967-Q969 PolarHBondContact O-N 3.33Š| ||
| 968 | H | 33.6 | Very low | 35.7 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -62.1 | 134.9 | -174.3 | -111.5 | -79.1 | 0 | 0 | 0 | 112 | Y970 | H968-Y970 PolarHBondContact O-N 3.45Š| ||
| 969 | Q | 31.9 | Very low | 34.7 | Very low | 167 Ų | 167 | 156.6 Ų | 156.6 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -63.8 | 83.2 | -179 | -173.5 | -178.3 | 9 | 0 | 0 | 112.5 | L967 N971 | L967-Q969 PolarHBondContact O-N 3.33Å; Q969-N971 PolarHBondContact O-N 3.15Å | ||
| 970 | Y | 27.2 | Very low | 33.7 | Very low | 217 Ų | 217 | 154.5 Ų | 154.5 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -77.8 | 106.3 | 168.5 | -88.1 | -83.4 | 0 | 0 | 0 | 110.2 | H968 W972 | H968-Y970 PolarHBondContact O-N 3.45Å; Y970-W972 PolarHBondContact O-N 2.99Å; Y970-W972 VanDerWaalsContact O-N 3.11Å | ||
| 971 | N | 32.3 | Very low | 33 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 65% | 0.652 | 78% | 0.784 | S | S | * | * | trans | -64.4 | 107.5 | 176.4 | -70.2 | -62.7 | 0 | 0 | 0 | 111 | Q969 I973 | Q969-N971 PolarHBondContact O-N 3.15Å; N971-I973 HydrophobicContact CB-CG1 4.35Å; N971-I973 PolarHBondContact O-N 2.83Å | ||
| 972 | W | 26.5 | Very low | 32.2 | Very low | 248 Ų | 248 | 154.4 Ų | 154.4 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | trans | -86.4 | 87.6 | 162.1 | -158.9 | -92.2 | 0 | 0 | 0 | 109.1 | Y970 E974 | Y970-W972 PolarHBondContact O-N 2.99Å; Y970-W972 VanDerWaalsContact O-N 3.11Å; W972-E974 PolarHBondContact O-N 3.13Å | ||
| 973 | I | 28.4 | Very low | 31.4 | Very low | 138 Ų | 138 | 150.6 Ų | 150.6 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | trans | -73.8 | 124.4 | 172.1 | -64.2 | 178.6 | 0 | 0 | 0 | 108 | N971 E975 | N971-I973 HydrophobicContact CB-CG1 4.35Å; N971-I973 PolarHBondContact O-N 2.83Å; I973-E975 PolarHBondContact O-N 3.39Å; I973-E975 VanDerWaalsContact O-N 3.13Å | ||
| 974 | E | 30.1 | Very low | 30.7 | Very low | 171 Ų | 171 | 151.8 Ų | 151.8 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -72.1 | 101.8 | 179.1 | -171.3 | 168.8 | -151.5 | 0 | 0 | 110.2 | W972 S976 | W972-E974 PolarHBondContact O-N 3.13Å; E974-S976 PolarHBondContact O-N 2.92Å | ||
| 975 | E | 27.2 | Very low | 30.2 | Very low | 198 Ų | 198 | 148.2 Ų | 148.2 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -64.9 | 95 | 174.2 | -76.4 | -163.4 | 134.4 | 0 | 0 | 110.7 | I973 | I973-E975 PolarHBondContact O-N 3.39Å; I973-E975 VanDerWaalsContact O-N 3.13Å | ||
| 976 | S | 31.9 | Very low | 29.7 | Very low | 85 Ų | 85 | 152.1 Ų | 152.1 | 59% | 0.594 | 79% | 0.786 | S | S | * | * | trans | -110.6 | 131.4 | 164.5 | 67.2 | 0 | 0 | 0 | 0 | 110.9 | E974 | E974-S976 PolarHBondContact O-N 2.92Š| ||
| 977 | N | 29.1 | Very low | 30 | Very low | 161 Ų | 161 | 151.4 Ų | 151.4 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 70.5 | 121.5 | 173.6 | -46.3 | -63.5 | 0 | 0 | 0 | 115.6 | ||
| 978 | G | 30 | Very low | 29.6 | Very low | 75 Ų | 75 | 147.3 Ų | 147.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -91.5 | 172.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 979 | Q | 29 | Very low | 29.5 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | 65.4 | 86.8 | 144.5 | -169.4 | 179.6 | -9.6 | 0 | 0 | 117.7 | ||||
| 980 | T | 28.5 | Very low | 29.2 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | -166.8 | 136.6 | 120.9 | 11.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 981 | S | 28.4 | Very low | 29.9 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | 34.4 | 107 | 149.8 | 58.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 982 | C | 23.9 | Very low | 29.6 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | 85.8 | 137.8 | 79.4 | -170.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 983 | S | 27.9 | Very low | 29.6 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | 77.8 | 150.6 | 165.7 | -5.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 984 | K | 28.3 | Very low | 29.6 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | cis | -168 | 165.3 | -10.2 | -129.2 | 177 | 177.8 | 175.7 | 0 | 111.6 | ||||
| 985 | I | 26.8 | Very low | 29.6 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | trans | 71.6 | 98 | 153.3 | -61.9 | 158.6 | 0 | 0 | 0 | 118 | ||||
| 986 | H | 30 | Very low | 30.6 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | -74.9 | 155.3 | 126.8 | -69.5 | -63.7 | 0 | 0 | 0 | 108.2 | |||||
| 987 | P | 45.9 | Very low | 31.4 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | -152.7 | -178.9 | 58.5 | 41.9 | -20.6 | 0 | 0 | 0 | 117.7 | |||||
| 988 | G | 24.3 | Very low | 31.4 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -172.5 | 80.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 989 | M | 31.8 | Very low | 31.7 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | -50.9 | 144.9 | -179.8 | -61.9 | 176.4 | 71.3 | 0 | 0 | 113.1 | ||||
| 990 | A | 26 | Very low | 31.7 | Very low | 86 Ų | 86 | 132.3 Ų | 132.3 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | 64.6 | 168.3 | 50.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 991 | P | 42.3 | Very low | 31.9 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | cis | -114.3 | -132.7 | -5 | 24.1 | 2.2 | 0 | 0 | 0 | 110.5 | ||||
| 992 | R | 26.1 | Very low | 32.1 | Very low | 206 Ų | 206 | 138.8 Ų | 138.8 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | cis | -168.2 | 123.7 | 6.5 | -158.7 | -163.3 | 176.3 | 168.9 | -0.4 | 114.3 | ||||
| 993 | T | 25.3 | Very low | 32.4 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | 62.2 | 168.9 | 154.2 | 51.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 994 | V | 28.5 | Very low | 32.7 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | cis | -148.4 | 136.6 | 26.4 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 995 | F | 30.3 | Very low | 32.6 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 87% | 0.873 | 79% | 0.791 | S | S | * | * | trans | -101.3 | 168.9 | 151.5 | -61.3 | -95.8 | 0 | 0 | 0 | 107.8 | ||||
| 996 | P | 49.4 | Very low | 32.8 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | cis | -136.4 | -129.3 | 13.8 | 36.1 | -9.3 | 0 | 0 | 0 | 109.8 | ||||
| 997 | P | 46.8 | Very low | 32.7 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -136.2 | 166.7 | -24.2 | 31.9 | -9.9 | 0 | 0 | 0 | 118.4 | ||||
| 998 | D | 30.3 | Very low | 31.7 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | 45.7 | 136.1 | 139.1 | -52.6 | -15.6 | 0 | 0 | 0 | 126 | ||||
| 999 | D | 35.1 | Very low | 32 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | 59.7 | 111.3 | 144.4 | -70.6 | -6.7 | 0 | 0 | 0 | 123.3 | ||||
| 1000 | G | 29.9 | Very low | 31.7 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -156.9 | 152.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1001 | Q | 33 | Very low | 31.9 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -92.5 | 168.9 | -170.4 | -65.9 | -175.9 | -29 | 0 | 0 | 114.7 | ||||
| 1002 | E | 31.6 | Very low | 31 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | 84.9 | 132.8 | 158.5 | -55.6 | -161.9 | 126.7 | 0 | 0 | 121.5 | ||||
| 1003 | A | 30 | Very low | 30.9 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | 68.1 | 148.9 | 154 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1004 | P | 34.3 | Very low | 31 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | -97.9 | 137.3 | -155.2 | 36.1 | -35 | 0 | 0 | 0 | 116.6 | ||||
| 1005 | C | 27.7 | Very low | 31 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 90% | 0.899 | 82% | 0.817 | S | S | * | * | trans | 39.4 | 97.9 | 140.5 | -57.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1006 | S | 30 | Very low | 31 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 92% | 0.923 | 81% | 0.811 | S | S | * | * | trans | -152.5 | 161.8 | 160.1 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1007 | G | 27.6 | Very low | 30.2 | Very low | 63 Ų | 63 | 130.1 Ų | 130.1 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | trans | 103.6 | 32.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | T1009 | G1007-T1009 PolarHBondContact O-N 2.9Š| ||
| 1008 | G | 25.9 | Very low | 29.3 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | -80.7 | 94.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1009 | T | 30.5 | Very low | 29.4 | Very low | 126 Ų | 126 | 133 Ų | 133 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -77.9 | 123.9 | -175.4 | -46.7 | 0 | 0 | 0 | 0 | 113 | G1007 | G1007-T1009 PolarHBondContact O-N 2.9Š| ||
| 1010 | Q | 25.7 | Very low | 29.1 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | 169 | 156.1 | 124 | -93.2 | 179.3 | 33.7 | 0 | 0 | 113.8 | |||||
| 1011 | L | 28.9 | Very low | 29 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | trans | 60.5 | 94 | 150.9 | -148.2 | 79 | 0 | 0 | 0 | 120 | ||||
| 1012 | A | 24.1 | Very low | 28.6 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -160.1 | 135 | 145.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1013 | A | 24.6 | Very low | 28.4 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -154.1 | 118.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1014 | F | 27.2 | Very low | 28.3 | Very low | 204 Ų | 204 | 135.5 Ų | 135.5 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | 59.8 | 72.2 | 170.3 | -54.1 | -70.1 | 0 | 0 | 0 | 117.9 | ||||
| 1015 | T | 27.4 | Very low | 27.9 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 139.2 | 140.1 | 47.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1016 | P | 30.8 | Very low | 27.8 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 153.6 | 161.9 | 31.7 | -33.8 | 0 | 0 | 0 | 110.2 | ||
| 1017 | P | 33.5 | Very low | 27.8 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 141.1 | -179.6 | 30.3 | -34.4 | 0 | 0 | 0 | 112.2 | ||
| 1018 | T | 27.1 | Very low | 27.7 | Very low | 129 Ų | 129 | 140 Ų | 140 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 138.6 | 168.9 | 43.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1019 | L | 33.6 | Very low | 27.8 | Very low | 177 Ų | 177 | 141 Ų | 141 | 93% | 0.927 | 81% | 0.812 | S | S | * | * | trans | -106 | 94.3 | 159.6 | -179 | 67.5 | 0 | 0 | 0 | 107.5 | ||||
| 1020 | E | 27.8 | Very low | 27.7 | Very low | 173 Ų | 173 | 141 Ų | 141 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | trans | -123.4 | 137.5 | 177.8 | -161 | 172.2 | -151.8 | 0 | 0 | 111.5 | ||||
| 1021 | N | 26.8 | Very low | 27.7 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -70.4 | 143.3 | -165.4 | -68.5 | -62.1 | 0 | 0 | 0 | 114.1 | ||||
| 1022 | S | 25.3 | Very low | 27.6 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -144.4 | 86 | 145.8 | -129.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1023 | T | 28.3 | Very low | 27.8 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 67% | 0.669 | 81% | 0.809 | S | S | * | * | 48.2 | 113.4 | 128.8 | -53.7 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1024 | R | 27.3 | Very low | 28 | Very low | 215 Ų | 215 | 144.9 Ų | 144.9 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | 74.2 | 108 | 145.5 | -172.1 | -157.8 | -53.2 | -119.7 | -2.1 | 118.2 | ||||
| 1025 | M | 25 | Very low | 28 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | trans | -137.9 | 143.5 | 132.5 | -94 | -59.5 | -167.6 | 0 | 0 | 110.4 | ||||
| 1026 | S | 26.6 | Very low | 28 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | trans | -95.9 | 160.2 | 169.5 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1027 | P | 29.6 | Very low | 28.1 | Very low | 137 Ų | 137 | 141 Ų | 141 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -66.4 | 147.9 | -174.7 | 27.5 | -35.5 | 0 | 0 | 0 | 112.4 | ||||
| 1028 | S | 26.2 | Very low | 27.9 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -126.4 | 140.6 | 170.6 | 55 | 0 | 0 | 0 | 0 | 110 | ||||
| 1029 | S | 26.7 | Very low | 28.2 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -68.4 | 131.3 | -171.2 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | A1031 | S1029-A1031 VanDerWaalsContact C-N 3.25Å; S1029-A1031 PolarHBondContact O-N 3.02Å | ||
| 1030 | S | 28.9 | Very low | 27.9 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -78.1 | 64.8 | 171.3 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | W1032 | S1030-W1032 PolarHBondContact O-N 2.94Š| ||
| 1031 | A | 26.1 | Very low | 27.9 | Very low | 88 Ų | 88 | 137.2 Ų | 137.2 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -68 | 121.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1029 A1033 | S1029-A1031 VanDerWaalsContact C-N 3.25Å; S1029-A1031 PolarHBondContact O-N 3.02Å; A1031-A1033 PolarHBondContact O-N 2.97Å | ||
| 1032 | W | 27.7 | Very low | 28 | Very low | 248 Ų | 248 | 136.1 Ų | 136.1 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | -85.7 | 98.6 | -170.7 | -158.7 | -4.8 | 0 | 0 | 0 | 111.8 | S1030 | S1030-W1032 PolarHBondContact O-N 2.94Š| ||
| 1033 | A | 27.2 | Very low | 28.1 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -104.8 | 115.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1031 | A1031-A1033 PolarHBondContact O-N 2.97Š| ||
| 1034 | K | 28.6 | Very low | 28.8 | Very low | 195 Ų | 195 | 135.9 Ų | 135.9 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 134.7 | 171.6 | -75.3 | 176 | 177.9 | 170.5 | 0 | 110.2 | ||
| 1035 | L | 28.5 | Very low | 28.8 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 130 | 174.5 | -74.8 | 162.3 | 0 | 0 | 0 | 111.3 | ||
| 1036 | G | 27 | Very low | 29 | Very low | 60 Ų | 60 | 127 Ų | 127 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 153.9 | 160 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 1037 | P | 33.3 | Very low | 29.2 | Very low | 132 Ų | 132 | 130 Ų | 130 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 136.5 | -173.7 | 29.9 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 1038 | T | 28.7 | Very low | 29.3 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 137.6 | 171.4 | 13.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1039 | P | 32.5 | Very low | 29.5 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 142.1 | 174.1 | 35 | -32.1 | 0 | 0 | 0 | 112.1 | ||
| 1040 | L | 27.4 | Very low | 29.7 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | -174.1 | 128.1 | 129.7 | -126.7 | 79.2 | 0 | 0 | 0 | 112.1 | |||||
| 1041 | S | 28.8 | Very low | 29.8 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -157.8 | 154.6 | 147.4 | -167.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 1042 | N | 28 | Very low | 30 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 67% | 0.674 | 78% | 0.78 | S | S | * | * | trans | -105.2 | 130.7 | -163.2 | -64 | -69.9 | 0 | 0 | 0 | 113.3 | ||||
| 1043 | C | 28.3 | Very low | 30.1 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | trans | 53.6 | 159 | 131.7 | -65.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1044 | P | 41.6 | Very low | 30.4 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | cis | -144.1 | -173.7 | -35.5 | 40.7 | -22.9 | 0 | 0 | 0 | 114.3 | ||||
| 1045 | V | 28.2 | Very low | 30.5 | Very low | 151 Ų | 151 | 135 Ų | 135 | 92% | 0.915 | 80% | 0.795 | S | S | * | * | trans | 76.7 | 137.9 | 160 | 178.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1046 | G | 29 | Very low | 30.6 | Very low | 67 Ų | 67 | 132.9 Ų | 132.9 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | 121.1 | 77.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1047 | E | 29.9 | Very low | 30.8 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | 63 | 112.6 | 98.1 | -80.7 | -149 | 113.3 | 0 | 0 | 117.7 | |||||
| 1048 | K | 32.1 | Very low | 30.7 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | 73.2 | 125.5 | 135.9 | -72.3 | 177.9 | 176.8 | 142.3 | 0 | 123.1 | ||||
| 1049 | D | 31.1 | Very low | 30.8 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | 67.2 | 149.8 | 128.9 | -58.4 | -36.2 | 0 | 0 | 0 | 122.2 | |||||
| 1050 | A | 30.7 | Very low | 30.7 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | 66.4 | 131.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1051 | D | 30.1 | Very low | 30.9 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | cis | 76.9 | 150.6 | 36.2 | -148.5 | -1.8 | 0 | 0 | 0 | 113.2 | ||||
| 1052 | V | 30.9 | Very low | 31.1 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 67% | 0.673 | 79% | 0.789 | S | S | * | * | trans | 82.4 | 107 | 178.6 | 178.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1053 | F | 29.6 | Very low | 31.4 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | 32.7 | 123.3 | 139.2 | -64.1 | -101.4 | 0 | 0 | 0 | 121.2 | ||||
| 1054 | L | 34.7 | Very low | 31.6 | Very low | 239 Ų | 239 | 142.1 Ų | 142.1 | 100% | 1.251 | 80% | 0.801 | S | S | * | * | -160.8 | 0 | 90 | -107 | 166.8 | 0 | 0 | 0 | 112.9 |
Retrieved 1,054 of 1,054 residues in 513 ms
(Link to these results)