| 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 | 56.6 | Low | 66 | Low | 214 Ų | 214 | 143.8 Ų | 143.8 | 100% | 1.054 | 69% | 0.694 | S | S | * | * | 0 | -34.1 | 0 | -82.1 | -56.5 | -171.7 | 0 | 0 | 113.3 | |||||
| 2 | A | 53 | Low | 67.8 | Low | 85 Ų | 85 | 137.8 Ų | 137.8 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | trans | -76 | -31.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | L4 | A2-L4 VanDerWaalsContact C-N 3.3Å; A2-L4 PolarHBondContact O-N 3.38Å | ||
| 3 | D | 60.8 | Low | 69.3 | Low | 125 Ų | 125 | 137 Ų | 137 | 67% | 0.668 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -75.1 | -13.4 | -160.6 | -48.6 | -81.6 | 0 | 0 | 0 | 115.1 | R5 N6 | D3-R5 PolarHBondContact O-N 3.45Å; D3-N6 PolarHBondContact O-N 3.23Å |
| 4 | L | 64.6 | Low | 70.8 | Confident | 114 Ų | 114 | 133.6 Ų | 133.6 | 60% | 0.597 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -67.2 | -0.1 | -175.9 | -66.8 | 172 | 0 | 0 | 0 | 114.8 | A2 F7 | A2-L4 VanDerWaalsContact C-N 3.3Å; A2-L4 PolarHBondContact O-N 3.38Å; L4-F7 HydrophobicContact CB-CE2 4.42Å; L4-F7 HydrophobicContact CD2-CE2 3.87Å; L4-F7 HydrophobicContact CD2-CZ 4.28Å; L4-F7 WeakPolarHBondContact O-CD2 3.41Å |
| 5 | R | 63 | Low | 72 | Confident | 236 Ų | 236 | 129.6 Ų | 129.6 | 89% | 0.891 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -95 | -10.9 | -178.6 | -68.8 | -170.8 | 176.7 | -169.2 | 0.1 | 115.1 | D3 | D3-R5 PolarHBondContact O-N 3.45Š|
| 6 | N | 63.9 | Low | 73 | Confident | 149 Ų | 149 | 127.9 Ų | 127.9 | 80% | 0.797 | 63% | 0.63 | S | S | * | * | trans | -94.7 | 11.7 | -172.9 | -71.7 | -13.3 | 0 | 0 | 0 | 115 | D3 S8 | D3-N6 PolarHBondContact O-N 3.23Å; N6-S8 PolarHBondContact O-N 3.13Å; N6-S8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | F | 64.6 | Low | 74.3 | Confident | 103 Ų | 103 | 127.9 Ų | 127.9 | 45% | 0.452 | 63% | 0.625 | S | S | . | * | trans | -68 | 107 | 175.7 | -64.4 | -67.1 | 0 | 0 | 0 | 111.7 | L4 R9 | L4-F7 HydrophobicContact CB-CE2 4.42Å; L4-F7 HydrophobicContact CD2-CE2 3.87Å; L4-F7 HydrophobicContact CD2-CZ 4.28Å; L4-F7 WeakPolarHBondContact O-CD2 3.41Å; F7-R9 PolarHBondContact O-N 3.39Å | ||
| 8 | S | 66.3 | Low | 75.3 | Confident | 72 Ų | 72 | 129.2 Ų | 129.2 | 50% | 0.503 | 62% | 0.622 | S | S | . | * | trans | -56.9 | 130 | 176.8 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | N6 K10 E11 | N6-S8 PolarHBondContact O-N 3.13Å; N6-S8 VanDerWaalsContact O-N 3.08Å; S8-K10 PolarHBondContact O-N 3.22Å; S8-E11 PolarHBondContact O-N 2.85Å; S8-E11 VanDerWaalsContact O-N 3.07Å | ||
| 9 | R | 69.7 | Low | 76 | Confident | 252 Ų | 252 | 130 Ų | 130 | 95% | 0.951 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -12.1 | 178.6 | -68.4 | -171.2 | -179.3 | -167.9 | 1.2 | 114.3 | F7 | F7-R9 PolarHBondContact O-N 3.39Š|
| 10 | K | 80.6 | Confident | 76.8 | Confident | 199 Ų | 199 | 127.6 Ų | 127.6 | 87% | 0.865 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -12 | 177.3 | -61.8 | -172.7 | 177.6 | -174.9 | 0 | 113.9 | S8 | S8-K10 PolarHBondContact O-N 3.22Š|
| 11 | E | 82.7 | Confident | 77.4 | Confident | 33 Ų | 33 | 130.7 Ų | 130.7 | 15% | 0.154 | 61% | 0.612 | C | S | . | * | S | Bend | trans | -82.4 | 123.6 | -175.4 | -170.8 | 165.7 | -150.5 | 0 | 0 | 112.7 | S8 E15 R16 R19 | S8-E11 PolarHBondContact O-N 2.85Å; S8-E11 VanDerWaalsContact O-N 3.07Å; E11-E15 HydrophobicContact CG-CB 4.09Å; E11-R16 PolarHBondContact O-NH2 2.91Å; E11-R19 VanDerWaalsContact OE1-CD 3.26Å; E11-R19 WeakPolarHBondContact OE1-CD 3.39Å; E11-R19 IonicContact OE1-CZ 2.74Å; E11-R19 IonicContact OE1-NE 3.85Å; E11-R19 PolarHBondContact OE1-NE 3.34Å; E11-R19 IonicContact OE1-NH1 3.69Å; E11-R19 PolarHBondContact OE1-NH1 3.16Å; E11-R19 IonicContact OE2-NH1 2.81Å; E11-R19 PolarHBondContact OE2-NH1 3.3Å |
| 12 | S | 87.6 | Confident | 79.1 | Confident | 71 Ų | 71 | 123.5 Ų | 123.5 | 50% | 0.497 | 59% | 0.586 | S | S | . | * | trans | -54.2 | 146.7 | 179.4 | 176.2 | 0 | 0 | 0 | 0 | 112.7 | V14 E15 R16 | S12-V14 PolarHBondContact O-N 3.49Å; S12-V14 PolarHBondContact OG-N 3.25Å; S12-E15 PolarHBondContact O-N 2.96Å; S12-E15 VanDerWaalsContact O-N 3.14Å; S12-R16 PolarHBondContact O-N 2.99Å | ||
| 13 | L | 88.1 | Confident | 81 | Confident | 128 Ų | 128 | 124.5 Ų | 124.5 | 67% | 0.67 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -56 | -36.1 | 175.4 | -165 | 79.6 | 0 | 0 | 0 | 111.9 | K17 | L13-K17 WeakPolarHBondContact O-CB 3.4Å; L13-K17 PolarHBondContact O-N 3.36Å |
| 14 | V | 89.3 | Confident | 82.3 | Confident | 89 Ų | 89 | 122.5 Ų | 122.5 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.2 | -43.8 | 178.5 | 180 | 0 | 0 | 0 | 0 | 111.1 | S12 K17 R18 | S12-V14 PolarHBondContact O-N 3.49Å; S12-V14 PolarHBondContact OG-N 3.25Å; V14-K17 WeakPolarHBondContact O-CB 3.5Å; V14-K17 PolarHBondContact O-N 3.28Å; V14-R18 PolarHBondContact O-N 2.83Å |
| 15 | E | 89.2 | Confident | 83.6 | Confident | 74 Ų | 74 | 123.7 Ų | 123.7 | 35% | 0.346 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -74.1 | -36.4 | -177.6 | -151.9 | 57.1 | -138.5 | 0 | 0 | 111.4 | E11 S12 K17 R18 R19 | E11-E15 HydrophobicContact CG-CB 4.09Å; S12-E15 PolarHBondContact O-N 2.96Å; S12-E15 VanDerWaalsContact O-N 3.14Å; E15-K17 VanDerWaalsContact C-N 3.3Å; E15-K17 PolarHBondContact O-N 3.15Å; E15-R18 WeakPolarHBondContact O-CB 3.2Å; E15-R18 PolarHBondContact O-N 3.33Å; E15-R18 WeakPolarHBondContact OE1-CD 3.35Å; E15-R18 IonicContact OE1-NH1 2.97Å; E15-R18 VanDerWaalsContact OE2-CD 3.27Å; E15-R18 WeakPolarHBondContact OE2-CD 3.45Å; E15-R18 IonicContact OE2-CZ 2.83Å; E15-R18 IonicContact OE2-NE 3.26Å; E15-R18 IonicContact OE2-NH1 2.92Å; E15-R18 PolarHBondContact OE2-NH1 3.3Å; E15-R19 PolarHBondContact O-N 3.36Å |
| 16 | R | 88.7 | Confident | 84.7 | Confident | 103 Ų | 103 | 115.3 Ų | 115.3 | 39% | 0.389 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 168 | -165.2 | -177.7 | -52.1 | 157.7 | 12.9 | 111.8 | E11 S12 Q20 | E11-R16 PolarHBondContact O-NH2 2.91Å; S12-R16 PolarHBondContact O-N 2.99Å; R16-Q20 WeakPolarHBondContact O-CB 3.41Å; R16-Q20 PolarHBondContact O-N 3.41Å |
| 17 | K | 93.9 | Very high | 85.6 | Confident | 127 Ų | 127 | 113.4 Ų | 113.4 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.8 | -40.4 | 174.4 | -91.4 | -71.4 | -177.4 | -169.8 | 0 | 112.7 | L13 V14 E15 W21 | L13-K17 WeakPolarHBondContact O-CB 3.4Å; L13-K17 PolarHBondContact O-N 3.36Å; V14-K17 WeakPolarHBondContact O-CB 3.5Å; V14-K17 PolarHBondContact O-N 3.28Å; E15-K17 VanDerWaalsContact C-N 3.3Å; E15-K17 PolarHBondContact O-N 3.15Å; K17-W21 WeakPolarHBondContact O-CB 3.29Å; K17-W21 PolarHBondContact O-N 3.3Å |
| 18 | R | 92.3 | Very high | 86.4 | Confident | 151 Ų | 151 | 114.6 Ų | 114.6 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.4 | -48 | 173.2 | -77.3 | 170.3 | 168.5 | 174.1 | -5.9 | 111.8 | V14 E15 W21 A22 | V14-R18 PolarHBondContact O-N 2.83Å; E15-R18 WeakPolarHBondContact O-CB 3.2Å; E15-R18 PolarHBondContact O-N 3.33Å; E15-R18 WeakPolarHBondContact OE1-CD 3.35Å; E15-R18 IonicContact OE1-NH1 2.97Å; E15-R18 VanDerWaalsContact OE2-CD 3.27Å; E15-R18 WeakPolarHBondContact OE2-CD 3.45Å; E15-R18 IonicContact OE2-CZ 2.83Å; E15-R18 IonicContact OE2-NE 3.26Å; E15-R18 IonicContact OE2-NH1 2.92Å; E15-R18 PolarHBondContact OE2-NH1 3.3Å; R18-W21 PolarHBondContact O-N 3.11Å; R18-A22 WeakPolarHBondContact O-CB 3.23Å; R18-A22 PolarHBondContact O-N 2.65Å |
| 19 | R | 89.1 | Confident | 86.8 | Confident | 145 Ų | 145 | 118.5 Ų | 118.5 | 55% | 0.547 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.1 | -45.6 | 176.4 | -77.6 | -177.8 | 166.8 | 176.3 | -9.6 | 112.4 | E11 E15 W21 A22 Q23 | E11-R19 VanDerWaalsContact OE1-CD 3.26Å; E11-R19 WeakPolarHBondContact OE1-CD 3.39Å; E11-R19 IonicContact OE1-CZ 2.74Å; E11-R19 IonicContact OE1-NE 3.85Å; E11-R19 PolarHBondContact OE1-NE 3.34Å; E11-R19 IonicContact OE1-NH1 3.69Å; E11-R19 PolarHBondContact OE1-NH1 3.16Å; E11-R19 IonicContact OE2-NH1 2.81Å; E11-R19 PolarHBondContact OE2-NH1 3.3Å; E15-R19 PolarHBondContact O-N 3.36Å; R19-W21 PolarHBondContact O-N 3.05Å; R19-A22 PolarHBondContact O-N 2.8Å; R19-Q23 WeakPolarHBondContact O-CB 3.41Å; R19-Q23 PolarHBondContact O-N 2.89Å |
| 20 | Q | 91.8 | Very high | 87.1 | Confident | 81 Ų | 81 | 114.1 Ų | 114.1 | 38% | 0.379 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -55.8 | -50 | 173.6 | 179.2 | -178.4 | 1.6 | 0 | 0 | 111 | R16 A22 Q23 E24 | R16-Q20 WeakPolarHBondContact O-CB 3.41Å; R16-Q20 PolarHBondContact O-N 3.41Å; Q20-A22 PolarHBondContact O-N 3.3Å; Q20-Q23 PolarHBondContact O-N 3.33Å; Q20-E24 HydrophobicContact CG-CG 4.41Å; Q20-E24 VanDerWaalsContact CG-OE1 3.3Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.5Å; Q20-E24 PolarHBondContact NE2-OE1 2.8Å; Q20-E24 WeakPolarHBondContact O-CG 3.35Å; Q20-E24 PolarHBondContact O-N 3.41Å |
| 21 | W | 90.8 | Very high | 86.6 | Confident | 194 Ų | 194 | 113.8 Ų | 113.8 | 74% | 0.735 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.9 | -33.5 | -177 | -166.4 | 22.1 | 0 | 0 | 0 | 112.9 | K17 R18 R19 K25 | K17-W21 WeakPolarHBondContact O-CB 3.29Å; K17-W21 PolarHBondContact O-N 3.3Å; R18-W21 PolarHBondContact O-N 3.11Å; R19-W21 PolarHBondContact O-N 3.05Å; W21-K25 VanDerWaalsContact O-CB 3.29Å; W21-K25 WeakPolarHBondContact O-CB 3.01Å; W21-K25 PolarHBondContact O-N 3.3Å |
| 22 | A | 91.5 | Very high | 85.6 | Confident | 62 Ų | 62 | 119.4 Ų | 119.4 | 51% | 0.512 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.6 | -40.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R18 R19 Q20 K25 A26 | R18-A22 WeakPolarHBondContact O-CB 3.23Å; R18-A22 PolarHBondContact O-N 2.65Å; R19-A22 PolarHBondContact O-N 2.8Å; Q20-A22 PolarHBondContact O-N 3.3Å; A22-K25 PolarHBondContact O-N 3.17Å; A22-A26 PolarHBondContact O-N 2.99Å |
| 23 | Q | 92 | Very high | 84.7 | Confident | 106 Ų | 106 | 120.2 Ų | 120.2 | 50% | 0.495 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.9 | -47.9 | 174.6 | -176.4 | 178.4 | -17.3 | 0 | 0 | 111.5 | R19 Q20 K25 A26 E27 | R19-Q23 WeakPolarHBondContact O-CB 3.41Å; R19-Q23 PolarHBondContact O-N 2.89Å; Q20-Q23 PolarHBondContact O-N 3.33Å; Q23-K25 PolarHBondContact O-N 3.42Å; Q23-A26 PolarHBondContact O-N 3.38Å; Q23-A26 VanDerWaalsContact O-N 3.07Å; Q23-E27 HydrophobicContact CG-CG 4.5Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.3Å; Q23-E27 PolarHBondContact NE2-OE1 3.11Å; Q23-E27 WeakPolarHBondContact O-CG 3.46Å; Q23-E27 PolarHBondContact O-N 2.76Å |
| 24 | E | 89.3 | Confident | 83.8 | Confident | 84 Ų | 84 | 122.1 Ų | 122.1 | 39% | 0.393 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.2 | -36.7 | 175.5 | -73.1 | 170.3 | -178.6 | 0 | 0 | 111.8 | Q20 L28 | Q20-E24 HydrophobicContact CG-CG 4.41Å; Q20-E24 VanDerWaalsContact CG-OE1 3.3Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.5Å; Q20-E24 PolarHBondContact NE2-OE1 2.8Å; Q20-E24 WeakPolarHBondContact O-CG 3.35Å; Q20-E24 PolarHBondContact O-N 3.41Å; E24-L28 WeakPolarHBondContact O-CB 3.14Å; E24-L28 WeakPolarHBondContact O-CG 3.47Å; E24-L28 PolarHBondContact O-N 3.23Å |
| 25 | K | 90.3 | Very high | 82.8 | Confident | 139 Ų | 139 | 119.5 Ų | 119.5 | 60% | 0.604 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69 | -38.7 | 174.3 | -170.8 | -179.4 | 179.4 | -174.6 | 0 | 112.6 | W21 A22 Q23 Q29 | W21-K25 VanDerWaalsContact O-CB 3.29Å; W21-K25 WeakPolarHBondContact O-CB 3.01Å; W21-K25 PolarHBondContact O-N 3.3Å; A22-K25 PolarHBondContact O-N 3.17Å; Q23-K25 PolarHBondContact O-N 3.42Å; K25-Q29 WeakPolarHBondContact O-CB 3.36Å; K25-Q29 PolarHBondContact O-N 2.99Å |
| 26 | A | 86.7 | Confident | 81.7 | Confident | 59 Ų | 59 | 123.6 Ų | 123.6 | 49% | 0.488 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.8 | -45.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A22 Q23 L28 Q29 E30 | A22-A26 PolarHBondContact O-N 2.99Å; Q23-A26 PolarHBondContact O-N 3.38Å; Q23-A26 VanDerWaalsContact O-N 3.07Å; A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.18Å; A26-Q29 PolarHBondContact O-N 3.45Å; A26-E30 PolarHBondContact O-N 2.89Å |
| 27 | E | 83.4 | Confident | 80 | Confident | 109 Ų | 109 | 124.5 Ų | 124.5 | 51% | 0.509 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.4 | -41.1 | 175 | -71.1 | 177.3 | -161.7 | 0 | 0 | 111.3 | Q23 Q29 E30 W31 | Q23-E27 HydrophobicContact CG-CG 4.5Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.3Å; Q23-E27 PolarHBondContact NE2-OE1 3.11Å; Q23-E27 WeakPolarHBondContact O-CG 3.46Å; Q23-E27 PolarHBondContact O-N 2.76Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; E27-Q29 PolarHBondContact O-N 3.13Å; E27-E30 PolarHBondContact O-N 3.32Å; E27-W31 WeakPolarHBondContact O-CB 3.41Å; E27-W31 PolarHBondContact O-N 3.47Å |
| 28 | L | 81 | Confident | 78.7 | Confident | 129 Ų | 129 | 122.7 Ų | 122.7 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.8 | -28.8 | 172.7 | -83 | 165.8 | 0 | 0 | 0 | 114.1 | E24 A26 | E24-L28 WeakPolarHBondContact O-CB 3.14Å; E24-L28 WeakPolarHBondContact O-CG 3.47Å; E24-L28 PolarHBondContact O-N 3.23Å; A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.18Å |
| 29 | Q | 75 | Confident | 77 | Confident | 153 Ų | 153 | 118.2 Ų | 118.2 | 72% | 0.715 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -84.9 | -26.3 | 179.6 | -170.1 | 165.3 | -9.3 | 0 | 0 | 112.6 | K25 A26 E27 | K25-Q29 WeakPolarHBondContact O-CB 3.36Å; K25-Q29 PolarHBondContact O-N 2.99Å; A26-Q29 PolarHBondContact O-N 3.45Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; E27-Q29 PolarHBondContact O-N 3.13Å |
| 30 | E | 75.8 | Confident | 74.9 | Confident | 161 Ų | 161 | 114.6 Ų | 114.6 | 75% | 0.752 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -81.4 | -30.1 | 169.1 | -173.6 | 164.7 | -146.1 | 0 | 0 | 112.4 | A26 E27 Y32 | A26-E30 PolarHBondContact O-N 2.89Å; E27-E30 PolarHBondContact O-N 3.32Å; E30-Y32 PolarHBondContact O-N 2.89Å |
| 31 | W | 69.4 | Low | 73.2 | Confident | 192 Ų | 192 | 114.4 Ų | 114.4 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | trans | -77.9 | 63.7 | -179.8 | -163.3 | 74.5 | 0 | 0 | 0 | 113.4 | E27 P33 | E27-W31 WeakPolarHBondContact O-CB 3.41Å; E27-W31 PolarHBondContact O-N 3.47Å; W31-P33 WeakPolarHBondContact O-CD 3.47Å | ||
| 32 | Y | 63.5 | Low | 71.3 | Confident | 151 Ų | 151 | 110.9 Ų | 110.9 | 59% | 0.592 | 63% | 0.625 | S | S | * | * | trans | -77.4 | 113.1 | 169.5 | -134.1 | -100.1 | 0 | 0 | 0 | 109.6 | E30 F34 G35 | E30-Y32 PolarHBondContact O-N 2.89Å; Y32-F34 PolarHBondContact O-N 3.35Å; Y32-F34 VanDerWaalsContact O-N 3.07Å; Y32-G35 WeakPolarHBondContact CB-O 3.44Å; Y32-G35 VanDerWaalsContact CD1-O 3.32Å; Y32-G35 WeakPolarHBondContact CD1-O 3.5Å; Y32-G35 PolarHBondContact O-N 2.91Å | ||
| 33 | P | 67.9 | Low | 69.1 | Low | 88 Ų | 88 | 116.2 Ų | 116.2 | 57% | 0.571 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -10.8 | -171 | 27.5 | -35.4 | 0 | 0 | 0 | 114.2 | W31 | W31-P33 WeakPolarHBondContact O-CD 3.47Š|
| 34 | F | 68.5 | Low | 67.1 | Low | 168 Ų | 168 | 120.1 Ų | 120.1 | 74% | 0.737 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 9.4 | 175.7 | -59.7 | -73.5 | 0 | 0 | 0 | 113.2 | Y32 | Y32-F34 PolarHBondContact O-N 3.35Å; Y32-F34 VanDerWaalsContact O-N 3.07Å |
| 35 | G | 68.7 | Low | 64.8 | Low | 33 Ų | 33 | 121.6 Ų | 121.6 | 34% | 0.34 | 68% | 0.679 | S | S | . | * | trans | 79.7 | 178.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y32 | Y32-G35 WeakPolarHBondContact CB-O 3.44Å; Y32-G35 VanDerWaalsContact CD1-O 3.32Å; Y32-G35 WeakPolarHBondContact CD1-O 3.5Å; Y32-G35 PolarHBondContact O-N 2.91Å | ||
| 36 | K | 66 | Low | 62.6 | Low | 160 Ų | 160 | 120.8 Ų | 120.8 | 70% | 0.696 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -61.5 | 139.3 | 171.7 | -64.3 | -176.2 | 178.8 | -176.1 | 0 | 108.7 | G38 A39 | K36-G38 PolarHBondContact O-N 2.83Å; K36-G38 VanDerWaalsContact O-N 3.14Å; K36-A39 HydrophobicContact CB-CB 4.17Å; K36-A39 WeakPolarHBondContact O-CB 3.42Å; K36-A39 PolarHBondContact O-N 3.4Å |
| 37 | P | 53.9 | Low | 60.5 | Low | 123 Ų | 123 | 125.4 Ų | 125.4 | 80% | 0.799 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | 123.5 | 171.3 | 23.4 | -32.5 | 0 | 0 | 0 | 109.5 | ||
| 38 | G | 66.5 | Low | 58.5 | Low | 88 Ų | 88 | 127.8 Ų | 127.8 | 91% | 0.907 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.9 | -20.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | K36 G40 | K36-G38 PolarHBondContact O-N 2.83Å; K36-G38 VanDerWaalsContact O-N 3.14Å; G38-G40 PolarHBondContact O-N 3.15Å |
| 39 | A | 55 | Low | 56.4 | Low | 57 Ų | 57 | 126.5 Ų | 126.5 | 47% | 0.471 | 73% | 0.727 | S | S | . | * | S | Bend | trans | -88.6 | 90.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | K36 | K36-A39 HydrophobicContact CB-CB 4.17Å; K36-A39 WeakPolarHBondContact O-CB 3.42Å; K36-A39 PolarHBondContact O-N 3.4Å |
| 40 | G | 46 | Very low | 54.7 | Low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | -51.8 | 142.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G38 | G38-G40 PolarHBondContact O-N 3.15Š| ||
| 41 | A | 54.9 | Low | 53.1 | Low | 77 Ų | 77 | 121.1 Ų | 121.1 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | trans | -56.6 | 139.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L43 | A41-L43 PolarHBondContact O-N 2.62Š| ||
| 42 | P | 51.6 | Low | 51.9 | Low | 120 Ų | 120 | 118.4 Ų | 118.4 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | trans | -70.9 | 98.4 | -171.9 | 27.8 | -35.2 | 0 | 0 | 0 | 111.9 | K44 | P42-K44 PolarHBondContact O-N 3.45Å; P42-K44 VanDerWaalsContact O-N 3.14Å | ||
| 43 | L | 45.5 | Very low | 50.9 | Low | 173 Ų | 173 | 119.3 Ų | 119.3 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | trans | -57.4 | 114.3 | 171.4 | -70.6 | 171.5 | 0 | 0 | 0 | 110.4 | A41 | A41-L43 PolarHBondContact O-N 2.62Š| ||
| 44 | K | 50 | Low | 49.5 | Very low | 188 Ų | 188 | 120 Ų | 120 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | trans | -140.1 | 87.9 | 171.7 | -72.4 | -163.8 | 175.1 | -169.1 | 0 | 111 | P42 P46 | P42-K44 PolarHBondContact O-N 3.45Å; P42-K44 VanDerWaalsContact O-N 3.14Å; K44-P46 WeakPolarHBondContact O-CD 3.31Å | ||
| 45 | S | 41.6 | Very low | 48.2 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -93.1 | 112.5 | 158.6 | 39 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 46 | P | 44.7 | Very low | 47 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -76 | 134.1 | 162.7 | -10.5 | 28.3 | 0 | 0 | 0 | 109.4 | K44 | K44-P46 WeakPolarHBondContact O-CD 3.31Š| ||
| 47 | L | 42.5 | Very low | 45.8 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | -75.6 | 146.2 | 167.7 | -137.5 | 76.1 | 0 | 0 | 0 | 109.8 | ||||
| 48 | L | 41.2 | Very low | 44.9 | Very low | 159 Ų | 159 | 124 Ų | 124 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 32.6 | 112.1 | 152.3 | -80.1 | 159.5 | 0 | 0 | 0 | 119.9 | ||||
| 49 | A | 35.7 | Very low | 43.6 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | 178.9 | 126.7 | 126.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 50 | A | 40.6 | Very low | 43 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 172 | 91 | 148.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 51 | A | 41.8 | Very low | 42.7 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -159.4 | 68 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 52 | D | 43.1 | Very low | 42 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | -40.3 | 154.7 | 157.5 | -77.8 | -75.3 | 0 | 0 | 0 | 114.1 | ||||
| 53 | Q | 43 | Very low | 41.3 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | cis | -155.6 | 176.2 | 7.8 | -97.6 | -101 | -29.3 | 0 | 0 | 110.8 | ||||
| 54 | P | 39.7 | Very low | 41.2 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | trans | -113.4 | 165 | -156.2 | 41.6 | -35.2 | 0 | 0 | 0 | 117.9 | ||||
| 55 | T | 41.2 | Very low | 40.8 | Very low | 132 Ų | 132 | 135 Ų | 135 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -145 | 142.7 | 147.5 | 23.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 56 | K | 42.6 | Very low | 40.6 | Very low | 188 Ų | 188 | 134.9 Ų | 134.9 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | 124.6 | 77 | 80.4 | -20.2 | 176.2 | -169.7 | 178.6 | 0 | 115.5 | |||||
| 57 | S | 39.8 | Very low | 40.3 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | 66.9 | 152.8 | 156 | 39.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 58 | C | 35.9 | Very low | 40.2 | Very low | 126 Ų | 126 | 136 Ų | 136 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -70.3 | 169.2 | -171.8 | -74.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 59 | P | 39.1 | Very low | 40.1 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -92.8 | 158.2 | 176.3 | 37.8 | -35.3 | 0 | 0 | 0 | 113.6 | ||||
| 60 | Q | 41.5 | Very low | 40.1 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -162.1 | 152.5 | 150.6 | -116.4 | 177.7 | -63.2 | 0 | 0 | 113.2 | ||||
| 61 | D | 40 | Very low | 40.1 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 65% | 0.652 | 80% | 0.798 | S | S | * | * | trans | 72.8 | 132.6 | 143.5 | -64.3 | -14 | 0 | 0 | 0 | 125.4 | ||||
| 62 | L | 41.2 | Very low | 40.1 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | 71.3 | 140.4 | 150.6 | -90.8 | 75.2 | 0 | 0 | 0 | 122 | ||||
| 63 | A | 37.1 | Very low | 40.1 | Very low | 84 Ų | 84 | 131.6 Ų | 131.6 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | -103.5 | 153.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 64 | Y | 42.1 | Very low | 40 | Very low | 213 Ų | 213 | 130.4 Ų | 130.4 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -169.4 | 113.3 | 146.5 | -98.3 | -81.3 | 0 | 0 | 0 | 105 | ||||
| 65 | N | 42 | Very low | 40.3 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | 85.5 | 159.5 | 69.4 | -161.6 | 17.4 | 0 | 0 | 0 | 113.8 | |||||
| 66 | C | 38.1 | Very low | 40.4 | Very low | 113 Ų | 113 | 128 Ų | 128 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | 82.5 | 140.5 | 169.1 | -60.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 67 | Q | 38.5 | Very low | 40.4 | Very low | 200 Ų | 200 | 130.3 Ų | 130.3 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | trans | -103 | 145.9 | 177.6 | -56.4 | 155.7 | -74.9 | 0 | 0 | 110.6 | ||||
| 68 | A | 39 | Very low | 40.6 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -172.5 | 154.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 69 | A | 38.9 | Very low | 40.9 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | cis | -158.3 | 169.6 | -25.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 70 | A | 36.6 | Very low | 41.4 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | trans | -96.3 | 149.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 71 | A | 41.2 | Very low | 41.5 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -164.6 | 148.3 | 160 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 72 | A | 41.4 | Very low | 41.6 | Very low | 97 Ų | 97 | 136 Ų | 136 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 52.3 | 118.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 73 | A | 42.9 | Very low | 41.6 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | cis | 74.7 | 149.3 | 47.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 74 | D | 41 | Very low | 42 | Very low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | cis | -175.9 | 172.2 | -22.7 | -180 | 25.3 | 0 | 0 | 0 | 106.1 | ||||
| 75 | V | 46.3 | Very low | 42.2 | Very low | 124 Ų | 124 | 131 Ų | 131 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | 70.6 | 135.1 | 171.2 | -165.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 76 | G | 42 | Very low | 42.4 | Very low | 59 Ų | 59 | 132.3 Ų | 132.3 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | cis | 145.4 | 148.6 | -11.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 77 | R | 44.3 | Very low | 42.5 | Very low | 237 Ų | 237 | 130.2 Ų | 130.2 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | 70.9 | 153.8 | 166.4 | -53 | -177.7 | -177.3 | -165.4 | 0.7 | 116 | ||||
| 78 | T | 42.7 | Very low | 42.9 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | cis | -159.6 | 154.7 | -14.9 | 16.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 79 | L | 42.7 | Very low | 43.1 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | trans | -11.2 | 171.8 | 143.6 | -64.7 | 171.3 | 0 | 0 | 0 | 119.8 | ||||
| 80 | P | 50.6 | Low | 43.3 | Very low | 104 Ų | 104 | 132 Ų | 132 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | cis | -148 | -178.6 | 20 | 32.3 | -6.6 | 0 | 0 | 0 | 119.9 | ||||
| 81 | L | 43.2 | Very low | 43.9 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | 65.3 | 135.7 | 148.3 | -75.1 | 157.8 | 0 | 0 | 0 | 120.4 | ||||
| 82 | R | 40.7 | Very low | 44.2 | Very low | 232 Ų | 232 | 137.6 Ų | 137.6 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | -162.5 | 147.6 | 64.7 | 179 | 175.3 | -177.8 | 172.6 | 1.6 | 113.3 | |||||
| 83 | N | 41.6 | Very low | 44.2 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -104.8 | 163.3 | 172.4 | -73.3 | -5.1 | 0 | 0 | 0 | 112.7 | ||||
| 84 | G | 45.8 | Very low | 44.6 | Very low | 67 Ų | 67 | 138 Ų | 138 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 147 | 100.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 85 | V | 45.4 | Very low | 44.9 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | 67.4 | 89.1 | 58.2 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 86 | D | 46.9 | Very low | 45 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | -173.1 | 164.8 | 107.8 | -96.4 | -39.4 | 0 | 0 | 0 | 110.3 | |||||
| 87 | G | 40.9 | Very low | 45.2 | Very low | 68 Ų | 68 | 139.2 Ų | 139.2 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -116.6 | 158.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 88 | F | 46.3 | Very low | 45.2 | Very low | 214 Ų | 214 | 133.4 Ų | 133.4 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | -152 | 149.3 | 164.5 | -135.3 | -90.5 | 0 | 0 | 0 | 111 | ||||
| 89 | D | 43.8 | Very low | 45.5 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -81.5 | 148.3 | -169.8 | -71.4 | -71.1 | 0 | 0 | 0 | 115.5 | ||||
| 90 | G | 42.1 | Very low | 45.9 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | 117.8 | 158 | 128.3 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 91 | I | 49.2 | Very low | 45.4 | Very low | 159 Ų | 159 | 137 Ų | 137 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | 74.2 | 82.9 | 159 | -43 | -179.9 | 0 | 0 | 0 | 117.7 | ||||
| 92 | N | 47.5 | Very low | 45.4 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | 29.2 | 122.8 | 127.6 | -60.6 | -28.1 | 0 | 0 | 0 | 120.7 | |||||
| 93 | G | 41.4 | Very low | 45.5 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | 173.1 | 98.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 94 | P | 52.9 | Low | 45.3 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | trans | -84.6 | 124.8 | 175.1 | 32.1 | -32 | 0 | 0 | 0 | 112.3 | S96 | P94-S96 PolarHBondContact O-N 2.98Å; P94-S96 VanDerWaalsContact O-N 3.13Å | ||
| 95 | S | 47 | Very low | 45 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -78.5 | 93.7 | 175.9 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 96 | S | 47 | Very low | 45 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 66% | 0.664 | 82% | 0.816 | S | S | * | * | trans | -91.9 | 121.1 | 174.5 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | P94 V98 | P94-S96 PolarHBondContact O-N 2.98Å; P94-S96 VanDerWaalsContact O-N 3.13Å; S96-V98 PolarHBondContact O-N 3.09Å | ||
| 97 | V | 47.3 | Very low | 44.7 | Very low | 138 Ų | 138 | 138 Ų | 138 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -87.4 | 96 | 173.9 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 98 | V | 44.3 | Very low | 44.3 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 70% | 0.697 | 82% | 0.817 | S | S | * | * | trans | -87.6 | 114.6 | -178.2 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | S96 | S96-V98 PolarHBondContact O-N 3.09Š| ||
| 99 | M | 47.8 | Very low | 44 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | trans | -77.4 | 136.8 | 159.8 | -82.9 | -75 | -173 | 0 | 0 | 109.7 | Q101 | M99-Q101 PolarHBondContact O-N 3.15Å; M99-Q101 VanDerWaalsContact O-N 3.07Å | ||
| 100 | P | 51 | Low | 43.6 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -75.9 | 101.7 | -169.6 | 28.9 | -35.1 | 0 | 0 | 0 | 112.8 | R102 | P100-R102 PolarHBondContact O-N 2.95Š| ||
| 101 | Q | 41.7 | Very low | 43.4 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -68.3 | 113.1 | 168.3 | -169.5 | 175.2 | 22.4 | 0 | 0 | 109.7 | M99 M103 | M99-Q101 PolarHBondContact O-N 3.15Å; M99-Q101 VanDerWaalsContact O-N 3.07Å; Q101-M103 PolarHBondContact O-N 3.38Å | ||
| 102 | R | 43.3 | Very low | 42.9 | Very low | 243 Ų | 243 | 143.2 Ų | 143.2 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -75.5 | 115.2 | 173.1 | -74.9 | -171.9 | 174.2 | -168.5 | -1.6 | 109.5 | P100 | P100-R102 PolarHBondContact O-N 2.95Š| ||
| 103 | M | 41.2 | Very low | 42.8 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -67 | 144.3 | 171.2 | -79.4 | -75 | -175.3 | 0 | 0 | 111.6 | Q101 | Q101-M103 PolarHBondContact O-N 3.38Š| ||
| 104 | D | 38.4 | Very low | 42.6 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -67.3 | 144.4 | 164.1 | -71.5 | -65 | 0 | 0 | 0 | 111.1 | ||||
| 105 | A | 40 | Very low | 42.2 | Very low | 98 Ų | 98 | 144 Ų | 144 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -122.2 | 123.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 106 | T | 44.2 | Very low | 41.7 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | -58.3 | 169.9 | -177.6 | 33.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 107 | P | 41.1 | Very low | 41.3 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | trans | -102.4 | 162.8 | -145.8 | 40 | -38.9 | 0 | 0 | 0 | 116.5 | ||||
| 108 | Y | 31.8 | Very low | 40.7 | Very low | 218 Ų | 218 | 150 Ų | 150 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | 54.5 | 93.9 | 144.5 | -141.4 | -87.2 | 0 | 0 | 0 | 118.6 | ||||
| 109 | V | 40.3 | Very low | 40.4 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 70% | 0.697 | 80% | 0.8 | S | S | * | * | trans | -120.4 | 122.6 | 157.6 | 179.7 | 0 | 0 | 0 | 0 | 109 | Y111 | V109-Y111 HydrophobicContact CG1-CD2 4.03Å; V109-Y111 HydrophobicContact CG1-CE2 3.69Å | ||
| 110 | S | 35.5 | Very low | 40 | Very low | 94 Ų | 94 | 149.1 Ų | 149.1 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | -94.3 | 115.6 | 176.9 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 111 | Y | 39.4 | Very low | 39.6 | Very low | 198 Ų | 198 | 151 Ų | 151 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -89.4 | 108.5 | 174.3 | -88.2 | -84.8 | 0 | 0 | 0 | 110.7 | V109 | V109-Y111 HydrophobicContact CG1-CD2 4.03Å; V109-Y111 HydrophobicContact CG1-CE2 3.69Å | ||
| 112 | N | 37.5 | Very low | 39.6 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -110.6 | 82.4 | 178.8 | -164.6 | 9.8 | 0 | 0 | 0 | 110 | ||||
| 113 | T | 46.4 | Very low | 40.1 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -138.4 | 118.1 | 175.8 | 49.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 114 | G | 36.5 | Very low | 40 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | 116.2 | 40.2 | 4.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 115 | E | 44.6 | Very low | 40.4 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -150.9 | 164.4 | 164.1 | -126 | 166.7 | -137.7 | 0 | 0 | 111.5 | ||||
| 116 | N | 36.5 | Very low | 40.3 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -98.1 | 129.3 | -156.7 | -66.3 | -67.9 | 0 | 0 | 0 | 114.9 | ||||
| 117 | S | 38.9 | Very low | 40 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -157.6 | 132.6 | 140.6 | 62.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 118 | Y | 34.3 | Very low | 39.9 | Very low | 218 Ų | 218 | 145.1 Ų | 145.1 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -90.1 | 116.1 | 179.4 | -94.3 | -109.8 | 0 | 0 | 0 | 111.4 | ||||
| 119 | V | 39.1 | Very low | 40.4 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | trans | -134.4 | 91.7 | 155.9 | -170.3 | 0 | 0 | 0 | 0 | 109.1 | L121 | V119-L121 HydrophobicContact CG1-CD2 4.33Å; V119-L121 HydrophobicContact CG1-CG 4.15Å; V119-L121 PolarHBondContact O-N 3.37Å | ||
| 120 | K | 39.2 | Very low | 40.3 | Very low | 147 Ų | 147 | 149.9 Ų | 149.9 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | -83.3 | 75.7 | -176.1 | -165.5 | 179.2 | -175.4 | -170.3 | 0 | 111.1 | Y122 | K120-Y122 HydrophobicContact CD-CD2 4.42Å; K120-Y122 HydrophobicContact CD-CE2 3.66Å; K120-Y122 WeakPolarHBondContact CE-OH 3.35Å; K120-Y122 HydrophobicContact CG-CD2 4.2Å; K120-Y122 HydrophobicContact CG-CE2 3.93Å; K120-Y122 PolarHBondContact NZ-OH 2.98Å; K120-Y122 PolarHBondContact O-N 2.88Å | ||
| 121 | L | 42.4 | Very low | 40.6 | Very low | 153 Ų | 153 | 152.5 Ų | 152.5 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | trans | -66.3 | 99.4 | 173.7 | -69 | 176.5 | 0 | 0 | 0 | 110.5 | V119 | V119-L121 HydrophobicContact CG1-CD2 4.33Å; V119-L121 HydrophobicContact CG1-CG 4.15Å; V119-L121 PolarHBondContact O-N 3.37Å | ||
| 122 | Y | 40.2 | Very low | 41 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 66% | 0.659 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133.7 | 167.1 | -84 | -94.3 | 0 | 0 | 0 | 110 | K120 | K120-Y122 HydrophobicContact CD-CD2 4.42Å; K120-Y122 HydrophobicContact CD-CE2 3.66Å; K120-Y122 WeakPolarHBondContact CE-OH 3.35Å; K120-Y122 HydrophobicContact CG-CD2 4.2Å; K120-Y122 HydrophobicContact CG-CE2 3.93Å; K120-Y122 PolarHBondContact NZ-OH 2.98Å; K120-Y122 PolarHBondContact O-N 2.88Å |
| 123 | P | 54.1 | Low | 42.1 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66 | 135.2 | 167.5 | 28.1 | -32.9 | 0 | 0 | 0 | 110 | ||
| 124 | F | 40.4 | Very low | 42 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 137 | -178.4 | -96.1 | -106.5 | 0 | 0 | 0 | 112.4 | Y126 | F124-Y126 PolarHBondContact O-N 3.43Å; F124-Y126 VanDerWaalsContact O-N 3.14Å |
| 125 | P | 45.9 | Very low | 42.8 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | trans | -73.7 | 102.1 | 166.8 | 30.4 | -32.1 | 0 | 0 | 0 | 109.9 | S127 | P125-S127 VanDerWaalsContact C-N 3.3Å; P125-S127 PolarHBondContact O-N 3.4Å | ||
| 126 | Y | 38.1 | Very low | 42.5 | Very low | 227 Ų | 227 | 152.6 Ų | 152.6 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -75.1 | 81.9 | 172.4 | -108 | -85.4 | 0 | 0 | 0 | 110.9 | F124 | F124-Y126 PolarHBondContact O-N 3.43Å; F124-Y126 VanDerWaalsContact O-N 3.14Å | ||
| 127 | S | 38.3 | Very low | 43 | Very low | 94 Ų | 94 | 154.9 Ų | 154.9 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | trans | -134.9 | 82.1 | 170.9 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | P125 | P125-S127 VanDerWaalsContact C-N 3.3Å; P125-S127 PolarHBondContact O-N 3.4Å | ||
| 128 | A | 39.1 | Very low | 43.4 | Very low | 87 Ų | 87 | 157.3 Ų | 157.3 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | trans | -108.4 | 104 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 129 | F | 41 | Very low | 44.5 | Very low | 206 Ų | 206 | 152.5 Ų | 152.5 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | -72.9 | 124.5 | 168.1 | -79.8 | -97 | 0 | 0 | 0 | 108.8 | ||||
| 130 | Y | 38.2 | Very low | 44.8 | Very low | 228 Ų | 228 | 153 Ų | 153 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | trans | -75.1 | 125.6 | 166.1 | -90 | -98.9 | 0 | 0 | 0 | 109.3 | ||||
| 131 | H | 41.7 | Very low | 44.9 | Very low | 149 Ų | 149 | 153.3 Ų | 153.3 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | trans | -110.2 | 144.6 | 164.4 | -157.9 | -100.7 | 0 | 0 | 0 | 108 | T133 | H131-T133 PolarHBondContact ND1-OG1 3.21Å; H131-T133 PolarHBondContact O-N 3.3Å | ||
| 132 | E | 49.4 | Very low | 44.5 | Very low | 205 Ų | 205 | 153.8 Ų | 153.8 | 96% | 0.958 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -67.7 | -4.1 | -170.5 | -83.9 | 178.7 | 126.2 | 0 | 0 | 115.1 | ||
| 133 | T | 60.2 | Low | 44.5 | Very low | 95 Ų | 95 | 152.4 Ų | 152.4 | 58% | 0.583 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -98.1 | 99.8 | 177.8 | 50.5 | 0 | 0 | 0 | 0 | 110.1 | H131 Q135 | H131-T133 PolarHBondContact ND1-OG1 3.21Å; H131-T133 PolarHBondContact O-N 3.3Å; T133-Q135 PolarHBondContact O-N 3.09Å |
| 134 | G | 44.3 | Very low | 43.7 | Very low | 88 Ų | 88 | 150.7 Ų | 150.7 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | trans | -68.9 | 59.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 135 | Q | 53 | Low | 43.8 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | trans | -117.4 | 113 | 178.8 | -77 | -80.5 | 2.8 | 0 | 0 | 109.8 | T133 Y137 | T133-Q135 PolarHBondContact O-N 3.09Å; Q135-Y137 HydrophobicContact CB-CD2 4.42Å | ||
| 136 | F | 39.4 | Very low | 43.5 | Very low | 207 Ų | 207 | 150.2 Ų | 150.2 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | trans | -88.2 | 105.4 | 173.7 | -106.1 | -91.6 | 0 | 0 | 0 | 110 | ||||
| 137 | Y | 46.6 | Very low | 43.5 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | -105.4 | 130.1 | 167.9 | -88.5 | -92 | 0 | 0 | 0 | 110.9 | Q135 | Q135-Y137 HydrophobicContact CB-CD2 4.42Š| ||
| 138 | H | 47.4 | Very low | 43.4 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | trans | -121.1 | 98.9 | -174.7 | -158.9 | -38 | 0 | 0 | 0 | 109 | ||||
| 139 | P | 57.5 | Low | 43.6 | Very low | 116 Ų | 116 | 150.4 Ų | 150.4 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -80.5 | 126.6 | -179.8 | 30.8 | -32.2 | 0 | 0 | 0 | 110.5 | ||||
| 140 | N | 43.7 | Very low | 43.3 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -159.6 | 128.7 | 171.9 | -128.8 | -7.2 | 0 | 0 | 0 | 109.4 | ||||
| 141 | H | 42.1 | Very low | 43.4 | Very low | 153 Ų | 153 | 142 Ų | 142 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | 61.5 | 153.2 | -179.3 | -70.1 | -97.7 | 0 | 0 | 0 | 116 | ||||
| 142 | Q | 34.5 | Very low | 43 | Very low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | cis | 175.5 | 105.8 | -28.2 | -116.4 | -176.3 | -14.3 | 0 | 0 | 106 | ||||
| 143 | V | 39.5 | Very low | 42.5 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | trans | -153.1 | 113.3 | 165 | -163.2 | 0 | 0 | 0 | 0 | 104 | ||||
| 144 | A | 38.6 | Very low | 41.3 | Very low | 80 Ų | 80 | 140.6 Ų | 140.6 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | 53.5 | 132.9 | 82.3 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 145 | T | 42.1 | Very low | 41.1 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | cis | -159.3 | 174.7 | 3.6 | -2.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 146 | N | 39.9 | Very low | 40.9 | Very low | 162 Ų | 162 | 140 Ų | 140 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | 73.8 | 127.1 | 171.6 | -46.8 | -25.4 | 0 | 0 | 0 | 116.1 | ||||
| 147 | G | 36.2 | Very low | 42 | Very low | 72 Ų | 72 | 135.8 Ų | 135.8 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | cis | 143.6 | 104.8 | -16.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 148 | L | 37.9 | Very low | 43 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | -155.6 | 134.7 | 155.9 | -145.8 | 77 | 0 | 0 | 0 | 113 | ||||
| 149 | M | 43.3 | Very low | 43.3 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | 25.9 | 110.8 | 160.4 | -68.5 | -63.4 | 119.3 | 0 | 0 | 120.7 | ||||
| 150 | Q | 33.8 | Very low | 43.7 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -91.6 | 110.7 | 164.6 | 179.7 | -177.5 | 26.8 | 0 | 0 | 110.3 | ||||
| 151 | A | 39.8 | Very low | 44.4 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | -100.2 | 109.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 152 | Q | 34.1 | Very low | 44.5 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -83.7 | 114.5 | 171.5 | -63.1 | -177.7 | 11.5 | 0 | 0 | 109.5 | ||||
| 153 | I | 38.3 | Very low | 44.9 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -121.6 | 100.4 | 169.6 | -59.4 | -179.2 | 0 | 0 | 0 | 108.1 | C155 | I153-C155 PolarHBondContact O-N 3.4Š| ||
| 154 | A | 34.8 | Very low | 45.1 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -83.8 | 101.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 155 | C | 41.6 | Very low | 45.1 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 134.3 | 172.6 | -64.6 | 0 | 0 | 0 | 0 | 110.5 | I153 | I153-C155 PolarHBondContact O-N 3.4Š|
| 156 | P | 47.6 | Very low | 45.1 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71 | 153.4 | 176.7 | 30.5 | -35.3 | 0 | 0 | 0 | 111.4 | ||
| 157 | P | 63.8 | Low | 45.2 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 142.3 | 170.8 | 29.3 | -34.1 | 0 | 0 | 0 | 110.8 | ||
| 158 | P | 67.1 | Low | 45.8 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 156.1 | 176.7 | 29.8 | -35.3 | 0 | 0 | 0 | 111.9 | ||
| 159 | P | 52.8 | Low | 46.4 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 151.7 | 178.2 | 29.4 | -35.7 | 0 | 0 | 0 | 111.9 | ||
| 160 | P | 65.8 | Low | 46.3 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 133.2 | 174.4 | 28.2 | -33.8 | 0 | 0 | 0 | 110.6 | ||
| 161 | P | 59.4 | Low | 46.9 | Very low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 144.1 | 176.6 | 27.7 | -33.9 | 0 | 0 | 0 | 111.2 | ||
| 162 | A | 44.6 | Very low | 47.1 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 148.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 163 | R | 41.2 | Very low | 47.4 | Very low | 229 Ų | 229 | 135 Ų | 135 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 136.6 | 167.7 | -69.2 | -176.8 | 177.3 | -179.9 | -1.3 | 109.8 | ||
| 164 | F | 44.4 | Very low | 47.6 | Very low | 208 Ų | 208 | 133.2 Ų | 133.2 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 125.9 | 163.3 | -112.9 | -94.6 | 0 | 0 | 0 | 108 | ||
| 165 | D | 39 | Very low | 47.8 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | -109.8 | 152.2 | 175 | -85.3 | -59 | 0 | 0 | 0 | 110.6 | ||||
| 166 | G | 41.5 | Very low | 47.6 | Very low | 65 Ų | 65 | 135.2 Ų | 135.2 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | 102.1 | 148.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 167 | F | 43.1 | Very low | 47.1 | Very low | 209 Ų | 209 | 136.5 Ų | 136.5 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | cis | -140.5 | 162.4 | 4.2 | -104.2 | -93.5 | 0 | 0 | 0 | 111.7 | ||||
| 168 | V | 47.9 | Very low | 45.9 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | trans | -125.4 | 140 | 179.9 | 171 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 169 | P | 49.9 | Very low | 44.4 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -95.2 | 156.2 | 161.5 | 35.1 | -30 | 0 | 0 | 0 | 112.5 | ||||
| 170 | Q | 42.2 | Very low | 43.6 | Very low | 196 Ų | 196 | 137 Ų | 137 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -116.3 | 147.2 | -155 | 179.6 | -179.1 | -4.5 | 0 | 0 | 112.9 | ||||
| 171 | G | 46.1 | Very low | 42.2 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -148.7 | 28.6 | -167.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 172 | Q | 45.1 | Very low | 41 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | 58 | 143.4 | 167.6 | -63.6 | -173.6 | -10.5 | 0 | 0 | 119.6 | ||||
| 173 | A | 39.5 | Very low | 40.6 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -157.9 | 149.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 174 | A | 41.8 | Very low | 40.5 | Very low | 108 Ų | 108 | 134 Ų | 134 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -158.4 | 130.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 175 | G | 39 | Very low | 40.2 | Very low | 66 Ų | 66 | 134.2 Ų | 134.2 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | cis | 169.5 | 155.8 | -13.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 176 | Q | 38.7 | Very low | 40.1 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | 66 | 151.1 | 161.9 | -59.7 | -165.8 | 52.1 | 0 | 0 | 118.4 | ||||
| 177 | L | 36.4 | Very low | 40.2 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | cis | -168.2 | 169.6 | -35.2 | -121.2 | 172.7 | 0 | 0 | 0 | 109.1 | ||||
| 178 | I | 37.5 | Very low | 40.5 | Very low | 140 Ų | 140 | 130 Ų | 130 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | trans | 74.4 | 95.2 | 160.4 | -59.5 | 151.1 | 0 | 0 | 0 | 119.2 | ||||
| 179 | T | 37.4 | Very low | 40.3 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | 16.7 | 142.5 | 120.1 | -18.6 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 180 | A | 35.3 | Very low | 40.3 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | 110.5 | 144.7 | 134.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 181 | T | 35.6 | Very low | 40.5 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -28.2 | 158.3 | 160.6 | 47.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 182 | D | 35.9 | Very low | 40.7 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | cis | -152 | 158.6 | 26.9 | -106.2 | -41 | 0 | 0 | 0 | 110.3 | ||||
| 183 | S | 36.1 | Very low | 40.8 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | 68.8 | 114.8 | 77.1 | -149.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 184 | L | 37.6 | Very low | 41.1 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 71.5 | 115.4 | 158.3 | -60.8 | 171.3 | 0 | 0 | 0 | 123.2 | ||||
| 185 | Y | 38.4 | Very low | 41.9 | Very low | 212 Ų | 212 | 133 Ų | 133 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | 57.5 | 132.3 | 134.7 | -88.3 | -93.6 | 0 | 0 | 0 | 125.1 | ||||
| 186 | S | 38 | Very low | 42.2 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 87.9 | 117.3 | 140.6 | -71.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 187 | A | 43.3 | Very low | 42.4 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | 73.2 | 130.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 188 | P | 48.5 | Very low | 42.6 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -85.4 | 145.7 | 170.1 | 34.8 | -33.3 | 0 | 0 | 0 | 112.7 | ||||
| 189 | I | 43.2 | Very low | 43.3 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | -91 | 155.4 | 179.9 | -69.4 | 167.2 | 0 | 0 | 0 | 111.1 | ||||
| 190 | N | 50.7 | Low | 43.4 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | -128.6 | 114.1 | 165.4 | -142.8 | -26.6 | 0 | 0 | 0 | 111.7 | ||||
| 191 | R | 45.7 | Very low | 43.8 | Very low | 220 Ų | 220 | 140.8 Ų | 140.8 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | 79.3 | 156.3 | 160 | -74 | 173 | -176.1 | -143 | -4 | 121 | ||||
| 192 | P | 50.2 | Low | 43.9 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | -134.8 | -176.6 | -147.7 | 44.8 | -27.8 | 0 | 0 | 0 | 115.5 | ||||
| 193 | A | 47.6 | Very low | 44.1 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | 176.4 | 135.5 | 123.9 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 194 | D | 46.6 | Very low | 44.1 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | 63.9 | 156.6 | 146.1 | -78.2 | 7.1 | 0 | 0 | 0 | 123.9 | ||||
| 195 | P | 57.5 | Low | 44.4 | Very low | 97 Ų | 97 | 142 Ų | 142 | 63% | 0.63 | 79% | 0.79 | S | S | * | * | trans | -134.3 | -171.4 | -142.1 | 44.5 | -28.2 | 0 | 0 | 0 | 115.4 | ||||
| 196 | F | 45.6 | Very low | 44.4 | Very low | 198 Ų | 198 | 135.5 Ų | 135.5 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | -176 | 150.4 | 126.8 | -105 | -69.5 | 0 | 0 | 0 | 114.5 | |||||
| 197 | A | 42.4 | Very low | 44.3 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | 62.1 | 85.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 198 | C | 42.4 | Very low | 44.4 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | 23.8 | 169.1 | 101.4 | -91.2 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 199 | P | 51.1 | Low | 43.7 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -141.4 | 165.8 | -4 | 30.6 | -7.2 | 0 | 0 | 0 | 118.7 | ||||
| 200 | Y | 40.4 | Very low | 43.4 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 30.6 | 148.9 | 133 | -73.9 | -107 | 0 | 0 | 0 | 122.5 | ||||
| 201 | Y | 43.9 | Very low | 42.9 | Very low | 219 Ų | 219 | 144.9 Ų | 144.9 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | -154.4 | 157.6 | 55.6 | -109.6 | -82.8 | 0 | 0 | 0 | 116.9 | |||||
| 202 | H | 36.4 | Very low | 42.8 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | -136.7 | 146.5 | 172.5 | -154.4 | 14.8 | 0 | 0 | 0 | 108.1 | ||||
| 203 | G | 39.6 | Very low | 42.2 | Very low | 73 Ų | 73 | 139.2 Ų | 139.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -165 | 147.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 204 | A | 37.1 | Very low | 41.6 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -140.4 | -163.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 205 | I | 42.9 | Very low | 41.2 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 93% | 0.933 | 79% | 0.785 | S | S | * | * | trans | 89.8 | 135.9 | 176.4 | -51.7 | 158.2 | 0 | 0 | 0 | 114.2 | ||||
| 206 | G | 39.2 | Very low | 40.3 | Very low | 75 Ų | 75 | 139.5 Ų | 139.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 139.7 | 102.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 207 | Q | 35.4 | Very low | 40.1 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -118.8 | 168.8 | 165.2 | -95.8 | -147.7 | 19.4 | 0 | 0 | 108.9 | ||||
| 208 | P | 46.3 | Very low | 39.8 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | cis | -139 | -157 | -27.7 | 36.2 | -16 | 0 | 0 | 0 | 112.2 | ||||
| 209 | R | 33.1 | Very low | 39.7 | Very low | 221 Ų | 221 | 139.4 Ų | 139.4 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | 94.3 | 148.8 | 144.2 | -126.2 | -179.2 | -166.3 | -176.5 | 3.9 | 119.3 | ||||
| 210 | L | 38.1 | Very low | 39.2 | Very low | 156 Ų | 156 | 140 Ų | 140 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | 75.7 | 116.8 | 164 | -58.9 | 171.6 | 0 | 0 | 0 | 119.1 | ||||
| 211 | M | 39.8 | Very low | 39.2 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | -71.9 | 161.7 | 151.8 | -62.1 | -93.9 | 86.7 | 0 | 0 | 109.5 | ||||
| 212 | P | 44 | Very low | 38.7 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 84% | 0.844 | 77% | 0.767 | S | S | * | * | -135.2 | -173.2 | 108.6 | 39.2 | -30.1 | 0 | 0 | 0 | 113.5 | |||||
| 213 | S | 36 | Very low | 38.9 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | trans | -117.9 | 173.3 | -161.7 | 55.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 214 | N | 36.7 | Very low | 39.2 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | 77.3 | 157.8 | 151.6 | -67.7 | -15.9 | 0 | 0 | 0 | 120.9 | ||||
| 215 | T | 38.4 | Very low | 39.1 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | 102.1 | 130.5 | 152 | -39 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 216 | A | 37.6 | Very low | 38.6 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 57% | 0.57 | 77% | 0.766 | S | S | * | * | cis | -175.4 | 177.5 | -38.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 217 | M | 41.6 | Very low | 38.7 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | 70.9 | 158.9 | 161.1 | -56 | -47 | 173.3 | 0 | 0 | 115.7 | ||||
| 218 | S | 36.4 | Very low | 38.7 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | cis | -162 | 169.1 | 3.4 | -121.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 219 | L | 39.6 | Very low | 38.5 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | cis | -169.8 | 164.9 | -22.5 | -120.7 | -179.3 | 0 | 0 | 0 | 107.6 | ||||
| 220 | N | 39.9 | Very low | 39.1 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | 65 | 162.1 | 158.3 | -65.3 | -27.7 | 0 | 0 | 0 | 118.5 | ||||
| 221 | H | 40.5 | Very low | 39.1 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 82% | 0.819 | 77% | 0.765 | S | S | * | * | cis | -126.8 | 170.3 | 0.5 | -93.1 | -67.6 | 0 | 0 | 0 | 111.9 | ||||
| 222 | A | 34.8 | Very low | 38.9 | Very low | 82 Ų | 82 | 131.7 Ų | 131.7 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -114.3 | 170.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 223 | F | 40.9 | Very low | 38.4 | Very low | 205 Ų | 205 | 129.7 Ų | 129.7 | 90% | 0.899 | 76% | 0.755 | S | S | * | * | 175.2 | 153.4 | 125.6 | -105.8 | -88.2 | 0 | 0 | 0 | 110.7 | |||||
| 224 | P | 45.5 | Very low | 38.8 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -118.5 | 168.2 | -175.4 | 40.8 | -29.2 | 0 | 0 | 0 | 114.6 | ||||
| 225 | C | 34.7 | Very low | 38.5 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 95% | 0.946 | 76% | 0.763 | S | S | * | * | trans | -170 | 166.9 | 145.1 | -120.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 226 | A | 33.2 | Very low | 38.7 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | -76.8 | 158.5 | -163.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 227 | S | 39.5 | Very low | 38.5 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | 168.8 | 137.5 | 132.2 | 41.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 228 | S | 36.7 | Very low | 38.4 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | cis | 105.3 | 104.3 | 13.6 | 76.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 229 | T | 41.5 | Very low | 38.6 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -167.9 | 154.7 | 145.4 | 20.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 230 | P | 46.2 | Very low | 38.3 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | trans | -133.4 | -153.6 | -154.4 | 32.8 | -8.5 | 0 | 0 | 0 | 115.1 | ||||
| 231 | Y | 37.3 | Very low | 38.4 | Very low | 202 Ų | 202 | 133 Ų | 133 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | 79.9 | 143.6 | 173.4 | -74.4 | -87.8 | 0 | 0 | 0 | 117 | ||||
| 232 | R | 36.7 | Very low | 38.3 | Very low | 199 Ų | 199 | 130.2 Ų | 130.2 | 75% | 0.751 | 79% | 0.794 | S | S | * | * | cis | -148.8 | 143.4 | -3.8 | -166 | 169 | -162.2 | 167 | 3.2 | 110.1 | ||||
| 233 | A | 31.7 | Very low | 39.3 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -116.3 | 153.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 234 | L | 44.8 | Very low | 40.1 | Very low | 151 Ų | 151 | 128 Ų | 128 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -127.8 | 123.8 | 170.4 | -72.3 | 175.8 | 0 | 0 | 0 | 108.8 | ||||
| 235 | S | 31.2 | Very low | 40.1 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -122.3 | 132.4 | 172.4 | -60 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 236 | T | 42.9 | Very low | 40.3 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -119.8 | 100.4 | 172.7 | 48.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 237 | T | 33.6 | Very low | 40.6 | Very low | 129 Ų | 129 | 126 Ų | 126 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -74.5 | 152.6 | 164.2 | 47.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 238 | T | 37.8 | Very low | 40.5 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 175.7 | 138.6 | 135.9 | -76.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 239 | S | 41.6 | Very low | 40.6 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | 39.5 | 135.3 | 166.3 | 65.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 240 | G | 32.4 | Very low | 40.6 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | cis | 103.5 | 85.8 | 5.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 241 | L | 41.9 | Very low | 40.5 | Very low | 177 Ų | 177 | 136 Ų | 136 | 93% | 0.927 | 82% | 0.819 | S | S | * | * | trans | -161.2 | 155.4 | 164.6 | -109.8 | 162.6 | 0 | 0 | 0 | 110 | ||||
| 242 | C | 40.2 | Very low | 40.6 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 149.8 | -164.3 | -54.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 243 | P | 55 | Low | 41 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 146.1 | 155 | 35.4 | -30.4 | 0 | 0 | 0 | 111.7 | ||
| 244 | P | 57.2 | Low | 41.5 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 158 | 169.5 | 34.1 | -34.6 | 0 | 0 | 0 | 112.1 | ||
| 245 | P | 45.4 | Very low | 41.1 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 152 | 179.2 | 36.6 | -34 | 0 | 0 | 0 | 113.9 | ||
| 246 | G | 40.1 | Very low | 41.8 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 114 | 150.8 | 161 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 247 | G | 38.4 | Very low | 41.5 | Very low | 85 Ų | 85 | 129 Ų | 129 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | trans | 114.7 | 81.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 248 | A | 38.5 | Very low | 42 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -88 | 130.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 249 | F | 37.6 | Very low | 42.2 | Very low | 206 Ų | 206 | 131.1 Ų | 131.1 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | trans | -173.3 | 110 | 151.3 | -109.6 | -71.1 | 0 | 0 | 0 | 110.4 | ||||
| 250 | Q | 42.5 | Very low | 42.3 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -158.8 | 149.1 | 146.8 | -130.6 | 177.3 | 27.2 | 0 | 0 | 111.6 | ||||
| 251 | E | 43.3 | Very low | 42.6 | Very low | 178 Ų | 178 | 138 Ų | 138 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -97.8 | 134.4 | -169.4 | -60.5 | 165.6 | 119.8 | 0 | 0 | 111.3 | ||||
| 252 | S | 39.1 | Very low | 42.7 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -67.9 | 154.4 | 162.3 | -53.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 253 | P | 45.1 | Very low | 42.5 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | -149.7 | 156.3 | 92.8 | 38.5 | -22.2 | 0 | 0 | 0 | 116.7 | |||||
| 254 | I | 42.7 | Very low | 41.9 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 72% | 0.723 | 81% | 0.81 | S | S | * | * | trans | 64.6 | 88.7 | 154.6 | -57.7 | 152.4 | 0 | 0 | 0 | 116.1 | I256 | I254-I256 HydrophobicContact CG2-CD1 4.08Å; I254-I256 HydrophobicContact CG2-CG1 3.52Å | ||
| 255 | G | 37.3 | Very low | 41.2 | Very low | 82 Ų | 82 | 140.6 Ų | 140.6 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -91.4 | 123.9 | 142.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 256 | I | 44.4 | Very low | 41.1 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 67% | 0.667 | 80% | 0.8 | S | S | * | * | trans | -89.8 | 114.6 | 177.8 | -60.8 | -179 | 0 | 0 | 0 | 109.4 | I254 M258 | I254-I256 HydrophobicContact CG2-CD1 4.08Å; I254-I256 HydrophobicContact CG2-CG1 3.52Å; I256-M258 HydrophobicContact CG2-CE 4.37Å; I256-M258 HydrophobicContact CG2-CG 4.42Å; I256-M258 PolarHBondContact O-N 3.04Å | ||
| 257 | E | 37.8 | Very low | 41.3 | Very low | 179 Ų | 179 | 140 Ų | 140 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -69.9 | 107.8 | 171.3 | -171.6 | 164.9 | -135.7 | 0 | 0 | 110 | ||||
| 258 | M | 44.2 | Very low | 41.4 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -99 | 89.1 | 173.9 | -86.1 | -72.9 | 174.1 | 0 | 0 | 109.5 | I256 | I256-M258 HydrophobicContact CG2-CE 4.37Å; I256-M258 HydrophobicContact CG2-CG 4.42Å; I256-M258 PolarHBondContact O-N 3.04Å | ||
| 259 | D | 41.9 | Very low | 41.4 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -66.8 | 142.1 | -175.4 | -154.8 | -7.5 | 0 | 0 | 0 | 112.5 | V261 | D259-V261 VanDerWaalsContact C-N 3.35Å; D259-V261 PolarHBondContact O-N 3.3Å | ||
| 260 | K | 43.8 | Very low | 41.5 | Very low | 198 Ų | 198 | 136.4 Ų | 136.4 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -84.9 | 68.5 | -165.2 | -74.6 | -175.7 | 178.3 | 175.1 | 0 | 113.2 | N262 | K260-N262 PolarHBondContact O-N 3.04Š| ||
| 261 | V | 39.1 | Very low | 41.2 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | -77.2 | 81.7 | 176.6 | -167.8 | 0 | 0 | 0 | 0 | 111.6 | D259 | D259-V261 VanDerWaalsContact C-N 3.35Å; D259-V261 PolarHBondContact O-N 3.3Å | ||
| 262 | N | 43.2 | Very low | 41.2 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -155.1 | 41.3 | 165.8 | -120.6 | -21.6 | 0 | 0 | 0 | 115.9 | K260 M264 | K260-N262 PolarHBondContact O-N 3.04Å; N262-M264 PolarHBondContact O-N 3.09Å | ||
| 263 | N | 35.9 | Very low | 41.4 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -75.4 | 72 | 167 | -83.8 | -21.4 | 0 | 0 | 0 | 111.4 | V265 | N263-V265 PolarHBondContact O-N 3.4Å; N263-V265 VanDerWaalsContact O-N 3.14Å | ||
| 264 | M | 42.5 | Very low | 41.6 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 96.2 | 168.5 | -80 | -95.9 | 64.6 | 0 | 0 | 110 | N262 A266 | N262-M264 PolarHBondContact O-N 3.09Å; M264-A266 PolarHBondContact O-N 3.27Å | ||
| 265 | V | 41.5 | Very low | 41.5 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 128.9 | 175.9 | 175 | 0 | 0 | 0 | 0 | 110.4 | N263 | N263-V265 PolarHBondContact O-N 3.4Å; N263-V265 VanDerWaalsContact O-N 3.14Å |
| 266 | A | 44.9 | Very low | 41.9 | Very low | 79 Ų | 79 | 138.5 Ų | 138.5 | 65% | 0.653 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 133.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | M264 A268 | M264-A266 PolarHBondContact O-N 3.27Å; A266-A268 PolarHBondContact O-N 3.25Å; A266-A268 VanDerWaalsContact O-N 3.16Å |
| 267 | P | 44.5 | Very low | 41.9 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 119.4 | 176.1 | 27.2 | -33.2 | 0 | 0 | 0 | 109.2 | T269 | P267-T269 PolarHBondContact O-N 2.85Š|
| 268 | A | 38.9 | Very low | 41.7 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | trans | -61.2 | 113.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A266 A270 | A266-A268 PolarHBondContact O-N 3.25Å; A266-A268 VanDerWaalsContact O-N 3.16Å; A268-A270 VanDerWaalsContact C-N 3.28Å; A268-A270 PolarHBondContact O-N 3.06Å | ||
| 269 | T | 40.2 | Very low | 41.7 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | -69.2 | 89.6 | 170.8 | 48.4 | 0 | 0 | 0 | 0 | 108.6 | P267 Y271 | P267-T269 PolarHBondContact O-N 2.85Å; T269-Y271 PolarHBondContact O-N 3.17Å | ||
| 270 | A | 38.4 | Very low | 41.7 | Very low | 85 Ų | 85 | 137 Ų | 137 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | -58.3 | 108.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | A268 V272 | A268-A270 VanDerWaalsContact C-N 3.28Å; A268-A270 PolarHBondContact O-N 3.06Å; A270-V272 VanDerWaalsContact C-N 3.35Å; A270-V272 PolarHBondContact O-N 3.46Å | ||
| 271 | Y | 37.2 | Very low | 41.6 | Very low | 214 Ų | 214 | 135.4 Ų | 135.4 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -66.2 | 97.4 | 167.5 | -111 | -101.4 | 0 | 0 | 0 | 107.6 | T269 S273 | T269-Y271 PolarHBondContact O-N 3.17Å; Y271-S273 PolarHBondContact O-N 3.36Å | ||
| 272 | V | 42.8 | Very low | 42.4 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -74 | 83.1 | 166.6 | -177.3 | 0 | 0 | 0 | 0 | 106.8 | A270 | A270-V272 VanDerWaalsContact C-N 3.35Å; A270-V272 PolarHBondContact O-N 3.46Å | ||
| 273 | S | 43 | Very low | 42.5 | Very low | 83 Ų | 83 | 136.3 Ų | 136.3 | 58% | 0.58 | 77% | 0.77 | S | S | * | * | trans | -53.3 | 135.6 | 168.2 | -63.2 | 0 | 0 | 0 | 0 | 108.9 | Y271 M275 | Y271-S273 PolarHBondContact O-N 3.36Å; S273-M275 PolarHBondContact O-N 2.95Å; S273-M275 VanDerWaalsContact O-N 3.08Å | ||
| 274 | P | 50.2 | Low | 42.9 | Very low | 114 Ų | 114 | 134 Ų | 134 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | trans | -62.1 | 117.4 | 175.4 | 26 | -32.9 | 0 | 0 | 0 | 108.9 | I276 | P274-I276 PolarHBondContact O-N 3.39Š| ||
| 275 | M | 39.6 | Very low | 43.1 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | trans | -62.1 | 103.1 | 169.6 | -88.8 | 177.7 | 56.9 | 0 | 0 | 108.6 | S273 F277 | S273-M275 PolarHBondContact O-N 2.95Å; S273-M275 VanDerWaalsContact O-N 3.08Å; M275-F277 HydrophobicContact CE-CD2 4.36Å; M275-F277 PolarHBondContact O-N 2.94Å | ||
| 276 | I | 46.2 | Very low | 43 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -66.4 | 103.9 | 166 | -61.4 | 176.8 | 0 | 0 | 0 | 106.2 | P274 G278 | P274-I276 PolarHBondContact O-N 3.39Å; I276-G278 VanDerWaalsContact C-N 3.26Å; I276-G278 PolarHBondContact O-N 3.28Å | ||
| 277 | F | 43.2 | Very low | 42.8 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 69% | 0.689 | 78% | 0.78 | S | S | * | * | trans | -76.9 | 80.3 | -177 | -150.9 | -77.7 | 0 | 0 | 0 | 109.5 | M275 Q279 | M275-F277 HydrophobicContact CE-CD2 4.36Å; M275-F277 PolarHBondContact O-N 2.94Å; F277-Q279 VanDerWaalsContact C-N 3.31Å; F277-Q279 HydrophobicContact CD1-CG 4.08Å; F277-Q279 HydrophobicContact CE1-CG 4.2Å; F277-Q279 PolarHBondContact O-N 2.88Å | ||
| 278 | G | 34.5 | Very low | 42.7 | Very low | 65 Ų | 65 | 134 Ų | 134 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | trans | -69 | 81.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | I276 | I276-G278 VanDerWaalsContact C-N 3.26Å; I276-G278 PolarHBondContact O-N 3.28Å | ||
| 279 | Q | 43.9 | Very low | 43.2 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 134.1 | 166 | -87.3 | -175.4 | -2.1 | 0 | 0 | 110 | F277 | F277-Q279 VanDerWaalsContact C-N 3.31Å; F277-Q279 HydrophobicContact CD1-CG 4.08Å; F277-Q279 HydrophobicContact CE1-CG 4.2Å; F277-Q279 PolarHBondContact O-N 2.88Å |
| 280 | Q | 42.7 | Very low | 43.4 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 138.4 | -177.1 | -66.7 | 168.2 | -18.7 | 0 | 0 | 110.4 | P282 | Q280-P282 WeakPolarHBondContact O-CD 3.47Š|
| 281 | M | 41.7 | Very low | 43.4 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.3 | 170 | -75.7 | -78.8 | -68.4 | 0 | 0 | 110.4 | Q283 | M281-Q283 PolarHBondContact O-N 3.47Š|
| 282 | P | 56 | Low | 43.9 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 123.8 | 159.4 | -14.5 | 30.3 | 0 | 0 | 0 | 109.3 | Q280 | Q280-P282 WeakPolarHBondContact O-CD 3.47Š|
| 283 | Q | 43.8 | Very low | 43.7 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 129.2 | 173.4 | -72.6 | -77.2 | 5.1 | 0 | 0 | 109.9 | M281 S285 | M281-Q283 PolarHBondContact O-N 3.47Å; Q283-S285 PolarHBondContact O-N 3.47Å |
| 284 | P | 44.9 | Very low | 43.7 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | trans | -77.8 | 102.9 | 172.2 | 30.7 | -31.8 | 0 | 0 | 0 | 110.2 | S286 | P284-S286 PolarHBondContact O-N 3.42Š| ||
| 285 | S | 47.4 | Very low | 43.4 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -69.8 | 116.8 | 173.6 | 55.5 | 0 | 0 | 0 | 0 | 111 | Q283 | Q283-S285 PolarHBondContact O-N 3.47Š| ||
| 286 | S | 38.4 | Very low | 43.6 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -78.1 | 122.5 | -179.4 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | P284 | P284-S286 PolarHBondContact O-N 3.42Š| ||
| 287 | C | 40.5 | Very low | 43.6 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 89% | 0.892 | 80% | 0.799 | S | S | * | * | trans | -137.6 | 140.1 | 153.6 | -101.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 288 | S | 42.4 | Very low | 43.5 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -99.9 | 177.4 | -176.1 | -123.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 289 | P | 49.2 | Very low | 44.1 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | trans | -96.6 | 170.8 | -135 | 39.1 | -39.6 | 0 | 0 | 0 | 114.1 | ||||
| 290 | N | 45.6 | Very low | 44.1 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -154.4 | 161.1 | 141.3 | -107.5 | -19 | 0 | 0 | 0 | 111.6 | ||||
| 291 | E | 38.4 | Very low | 44.3 | Very low | 178 Ų | 178 | 132.7 Ų | 132.7 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -73.4 | 140.6 | 179.2 | -58.8 | 158.2 | 121.6 | 0 | 0 | 111.4 | ||||
| 292 | C | 46.7 | Very low | 44.5 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | -176.4 | 161.3 | 126.4 | -103 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 293 | D | 39.1 | Very low | 44.2 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | -114.4 | 174.4 | -167.9 | -174.7 | 23.1 | 0 | 0 | 0 | 112 | ||||
| 294 | V | 44.4 | Very low | 44.7 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 56% | 0.558 | 80% | 0.802 | S | S | * | * | trans | 75.5 | 103.4 | 161.7 | -165.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 295 | R | 43.1 | Very low | 44.9 | Very low | 238 Ų | 238 | 130.3 Ų | 130.3 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | 45.8 | 121.6 | 143.9 | -54.6 | 167.6 | 177.6 | 153.9 | -4.9 | 119.4 | ||||
| 296 | S | 44.4 | Very low | 44.8 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | -157.7 | 162 | 118.5 | -153.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 297 | L | 44.7 | Very low | 45.2 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -60.9 | 145.5 | -168.4 | -61.2 | 158.7 | 0 | 0 | 0 | 116.9 | ||||
| 298 | C | 42.4 | Very low | 45.5 | Very low | 118 Ų | 118 | 132 Ų | 132 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | 24.5 | 129 | 130.5 | -48.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 299 | S | 46.3 | Very low | 45.7 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | 175.3 | 163.6 | 98.4 | -165.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 300 | G | 44.4 | Very low | 45.8 | Very low | 69 Ų | 69 | 135.2 Ų | 135.2 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 123.2 | 37.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 301 | G | 46.1 | Very low | 45.8 | Very low | 71 Ų | 71 | 135.3 Ų | 135.3 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 59.9 | 179.3 | 151.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 302 | D | 45.6 | Very low | 46.3 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | cis | -159.8 | 173.2 | -20.1 | -130.7 | -42.2 | 0 | 0 | 0 | 112.1 | ||||
| 303 | A | 50.3 | Low | 46.5 | Very low | 76 Ų | 76 | 134.2 Ų | 134.2 | 63% | 0.628 | 79% | 0.792 | S | S | * | * | trans | 74.7 | 107.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 304 | V | 55.2 | Low | 46.8 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | 84.8 | 122 | 133.3 | -57 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 305 | D | 47.8 | Very low | 46.9 | Very low | 146 Ų | 146 | 136 Ų | 136 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | 74.2 | 76.1 | 137.8 | -63.1 | 1.4 | 0 | 0 | 0 | 121.4 | ||||
| 306 | S | 46.1 | Very low | 47.3 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -145.3 | 91.6 | 142.3 | -78.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 307 | S | 46.5 | Very low | 47.6 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -114.7 | 104.8 | -174.2 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 308 | L | 47.7 | Very low | 47.6 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -171.8 | 130.1 | 160.6 | -106.1 | 157.2 | 0 | 0 | 0 | 111.4 | ||||
| 309 | L | 46.4 | Very low | 47.9 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 69.1 | 60.3 | 171.9 | -68.5 | 95.6 | 0 | 0 | 0 | 119.9 | ||
| 310 | T | 49.7 | Very low | 48.1 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -148.9 | 73.1 | 145.7 | 5.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 311 | M | 47.3 | Very low | 48.4 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -138.5 | 107.4 | 171.7 | -76.9 | -67.4 | -69 | 0 | 0 | 109.7 | D313 | M311-D313 WeakPolarHBondContact CE-OD1 3.34Š| ||
| 312 | H | 49 | Very low | 48.7 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -151 | 51.8 | 160.3 | -158.2 | -48.3 | 0 | 0 | 0 | 111.3 | ||||
| 313 | D | 50.1 | Low | 48.9 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 60% | 0.604 | 79% | 0.785 | S | S | * | * | trans | 49.4 | 92.4 | 139.3 | -53.3 | -11.3 | 0 | 0 | 0 | 119.2 | M311 A315 | M311-D313 WeakPolarHBondContact CE-OD1 3.34Å; D313-A315 VanDerWaalsContact C-N 3.29Å; D313-A315 PolarHBondContact O-N 3.24Å; D313-A315 VanDerWaalsContact O-N 3.11Å | ||
| 314 | H | 44.3 | Very low | 49.1 | Very low | 213 Ų | 213 | 140.5 Ų | 140.5 | 99% | 0.986 | 79% | 0.792 | S | S | * | * | trans | -70.7 | 83.1 | 146.3 | -100.1 | -45.7 | 0 | 0 | 0 | 109.9 | ||||
| 315 | A | 47.3 | Very low | 48.9 | Very low | 66 Ų | 66 | 142.4 Ų | 142.4 | 55% | 0.545 | 80% | 0.798 | S | S | . | * | trans | -155.9 | 89.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D313 | D313-A315 VanDerWaalsContact C-N 3.29Å; D313-A315 PolarHBondContact O-N 3.24Å; D313-A315 VanDerWaalsContact O-N 3.11Å | ||
| 316 | M | 52 | Low | 49.1 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | 171 | 140.5 | 149.3 | -80.3 | -35.5 | 135.9 | 0 | 0 | 107.4 | ||||
| 317 | S | 50.1 | Low | 49.6 | Very low | 94 Ų | 94 | 147 Ų | 147 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | cis | -155 | 138.4 | -24.2 | -97.1 | 0 | 0 | 0 | 0 | 108.4 | S319 | S317-S319 PolarHBondContact O-N 3.32Š| ||
| 318 | K | 45.1 | Very low | 49.9 | Very low | 216 Ų | 216 | 143.4 Ų | 143.4 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | trans | -91.5 | 81 | 179 | -73.4 | -176.6 | 178.5 | 177.7 | 0 | 111.8 | ||||
| 319 | S | 48.3 | Very low | 50.3 | Low | 90 Ų | 90 | 142.1 Ų | 142.1 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | trans | -168.4 | 113 | 168.1 | 37.8 | 0 | 0 | 0 | 0 | 113.3 | S317 | S317-S319 PolarHBondContact O-N 3.32Š| ||
| 320 | Y | 50 | Low | 50.7 | Low | 217 Ų | 217 | 143 Ų | 143 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | 163.7 | 113.5 | 122.9 | -103.4 | -78.8 | 0 | 0 | 0 | 111.4 | |||||
| 321 | P | 52.5 | Low | 51.1 | Low | 132 Ų | 132 | 144.7 Ų | 144.7 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | trans | -88.3 | 114.2 | 160.8 | 32.4 | -26.2 | 0 | 0 | 0 | 109.2 | ||||
| 322 | G | 51.1 | Low | 51.4 | Low | 58 Ų | 58 | 146 Ų | 146 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | trans | -168.6 | 95.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 323 | T | 50.5 | Low | 51.7 | Low | 136 Ų | 136 | 149 Ų | 149 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | 32.6 | 102.5 | 136 | 57 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 324 | S | 53.6 | Low | 51.7 | Low | 110 Ų | 110 | 147.8 Ų | 147.8 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -173.2 | 116.2 | 137.2 | 24.8 | 0 | 0 | 0 | 0 | 111.5 | E326 | S324-E326 PolarHBondContact O-N 2.93Š| ||
| 325 | D | 51.8 | Low | 52.2 | Low | 171 Ų | 171 | 144.3 Ų | 144.3 | 91% | 0.914 | 75% | 0.753 | S | S | * | * | trans | -89.9 | 76.3 | -169.6 | -67.9 | -75.8 | 0 | 0 | 0 | 114 | ||||
| 326 | E | 52.8 | Low | 52.4 | Low | 166 Ų | 166 | 146.5 Ų | 146.5 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -125.8 | -10.1 | 178.2 | -141 | 169 | -165.6 | 0 | 0 | 115.8 | S324 G328 | S324-E326 PolarHBondContact O-N 2.93Å; E326-G328 PolarHBondContact O-N 2.97Å; E326-G328 VanDerWaalsContact O-N 3.13Å | ||
| 327 | Y | 54.8 | Low | 52.6 | Low | 209 Ų | 209 | 145 Ų | 145 | 82% | 0.82 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 5.6 | 175.2 | -83.1 | -86.4 | 0 | 0 | 0 | 114.8 | I329 | Y327-I329 PolarHBondContact O-N 3.4Š|
| 328 | G | 54.4 | Low | 53 | Low | 40 Ų | 40 | 143.1 Ų | 143.1 | 41% | 0.412 | 75% | 0.751 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.7 | -9.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | E326 R332 | E326-G328 PolarHBondContact O-N 2.97Å; E326-G328 VanDerWaalsContact O-N 3.13Å; G328-R332 PolarHBondContact O-NE 3.29Å; G328-R332 PolarHBondContact O-NH2 3.43Å |
| 329 | I | 55.2 | Low | 53.5 | Low | 132 Ų | 132 | 134.8 Ų | 134.8 | 68% | 0.677 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -45 | -170.7 | -59.1 | -179.8 | 0 | 0 | 0 | 112.3 | Y327 K331 R332 | Y327-I329 PolarHBondContact O-N 3.4Å; I329-K331 VanDerWaalsContact C-N 3.29Å; I329-K331 PolarHBondContact O-N 3.49Å; I329-R332 PolarHBondContact O-N 3.28Å |
| 330 | H | 54.5 | Low | 54.1 | Low | 171 Ų | 171 | 142.6 Ų | 142.6 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -68.6 | -21.1 | -173.9 | -78.8 | 90.9 | 0 | 0 | 0 | 114.8 | R332 | H330-R332 VanDerWaalsContact C-N 3.27Å; H330-R332 PolarHBondContact O-N 2.94Å |
| 331 | K | 57.5 | Low | 55.3 | Low | 181 Ų | 181 | 136.4 Ų | 136.4 | 79% | 0.787 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -76.3 | -1.9 | 179 | -71.7 | -172.3 | 176.5 | 179.5 | 0 | 115.2 | I329 | I329-K331 VanDerWaalsContact C-N 3.29Å; I329-K331 PolarHBondContact O-N 3.49Å |
| 332 | R | 55.4 | Low | 56.8 | Low | 189 Ų | 189 | 137.8 Ų | 137.8 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -105.1 | 7.6 | -175.8 | -84.7 | -179 | -87.5 | -152.4 | -4 | 116.4 | G328 I329 H330 | G328-R332 PolarHBondContact O-NE 3.29Å; G328-R332 PolarHBondContact O-NH2 3.43Å; I329-R332 PolarHBondContact O-N 3.28Å; H330-R332 VanDerWaalsContact C-N 3.27Å; H330-R332 PolarHBondContact O-N 2.94Å |
| 333 | R | 54.2 | Low | 58.5 | Low | 246 Ų | 246 | 140.9 Ų | 140.9 | 93% | 0.928 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -112.9 | 2.5 | 171.3 | -77.1 | -169 | 176.4 | -170.5 | 0.4 | 115.7 | I335 | R333-I335 PolarHBondContact O-N 3.21Å; R333-I335 VanDerWaalsContact O-N 3.16Å |
| 334 | A | 50.6 | Low | 60.2 | Low | 88 Ų | 88 | 137.2 Ų | 137.2 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -84.9 | 39.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V336 | A334-V336 PolarHBondContact O-N 3.36Š| ||
| 335 | I | 54.5 | Low | 61.8 | Low | 139 Ų | 139 | 135.8 Ų | 135.8 | 71% | 0.713 | 67% | 0.669 | S | S | * | * | trans | -79.4 | 89.4 | 179.5 | -57.4 | -178.6 | 0 | 0 | 0 | 109.6 | R333 T337 | R333-I335 PolarHBondContact O-N 3.21Å; R333-I335 VanDerWaalsContact O-N 3.16Å; I335-T337 PolarHBondContact O-N 2.96Å | ||
| 336 | V | 51.7 | Low | 63.7 | Low | 113 Ų | 113 | 132 Ų | 132 | 69% | 0.685 | 65% | 0.645 | S | S | * | * | trans | 46.4 | 69.7 | 136.7 | -164.5 | 0 | 0 | 0 | 0 | 115.6 | A334 A338 | A334-V336 PolarHBondContact O-N 3.36Å; V336-A338 HydrophobicContact CG1-CB 3.55Å; V336-A338 PolarHBondContact O-N 3.44Å | ||
| 337 | T | 56.8 | Low | 65.5 | Low | 146 Ų | 146 | 127.9 Ų | 127.9 | 90% | 0.896 | 63% | 0.626 | S | S | * | * | trans | -83.2 | 58.9 | 135.7 | 48 | 0 | 0 | 0 | 0 | 109.4 | I335 | I335-T337 PolarHBondContact O-N 2.96Š| ||
| 338 | A | 57 | Low | 67.2 | Low | 56 Ų | 56 | 125.5 Ų | 125.5 | 46% | 0.463 | 62% | 0.616 | S | S | . | * | trans | -58.4 | 141.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108 | V336 R340 | V336-A338 HydrophobicContact CG1-CB 3.55Å; V336-A338 PolarHBondContact O-N 3.44Å; A338-R340 PolarHBondContact O-N 2.86Å | ||
| 339 | P | 56 | Low | 69 | Low | 40 Ų | 40 | 130.7 Ų | 130.7 | 26% | 0.26 | 62% | 0.623 | S | S | . | * | trans | -58.4 | 112.2 | 174.7 | -20.6 | 32.9 | 0 | 0 | 0 | 108.7 | N341 D344 L345 | P339-N341 PolarHBondContact O-N 3.14Å; P339-D344 HydrophobicContact CB-CB 3.93Å; P339-L345 HydrophobicContact CB-CD2 4.49Å; P339-L345 HydrophobicContact CB-CG 4.07Å; P339-L345 HydrophobicContact CG-CD2 3.93Å; P339-L345 HydrophobicContact CG-CG 4.06Å | ||
| 340 | R | 61 | Low | 70.9 | Confident | 255 Ų | 255 | 126.3 Ų | 126.3 | 96% | 0.962 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -76.6 | -0.1 | -176.4 | -98.4 | -173.7 | 171.2 | -170.5 | -2.9 | 113.2 | A338 | A338-R340 PolarHBondContact O-N 2.86Š|
| 341 | N | 76.2 | Confident | 72.9 | Confident | 87 Ų | 87 | 125 Ų | 125 | 47% | 0.465 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -127.4 | 129.3 | 178.2 | -168.5 | -1.7 | 0 | 0 | 0 | 108.9 | P339 H343 D344 | P339-N341 PolarHBondContact O-N 3.14Å; N341-H343 PolarHBondContact O-N 3.43Å; N341-H343 WeakPolarHBondContact OD1-CB 3.22Å; N341-H343 PolarHBondContact OD1-N 3.09Å; N341-D344 PolarHBondContact O-N 3.21Å; N341-D344 VanDerWaalsContact O-N 3.15Å |
| 342 | E | 83 | Confident | 74.7 | Confident | 161 Ų | 161 | 119.8 Ų | 119.8 | 75% | 0.752 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.3 | -32.3 | 177.2 | -174.7 | 168.7 | -164.2 | 0 | 0 | 111.4 | D344 L345 E346 | E342-D344 VanDerWaalsContact C-N 3.28Å; E342-D344 PolarHBondContact O-N 2.99Å; E342-L345 WeakPolarHBondContact O-CB 3.49Å; E342-L345 PolarHBondContact O-N 3.07Å; E342-L345 VanDerWaalsContact O-N 3.11Å; E342-E346 PolarHBondContact O-N 2.74Å |
| 343 | H | 87.3 | Confident | 76.6 | Confident | 122 Ų | 122 | 115.1 Ų | 115.1 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -51.6 | -42.1 | 172.2 | -176.1 | -84.4 | 0 | 0 | 0 | 113.1 | N341 L345 E346 E347 | N341-H343 PolarHBondContact O-N 3.43Å; N341-H343 WeakPolarHBondContact OD1-CB 3.22Å; N341-H343 PolarHBondContact OD1-N 3.09Å; H343-L345 VanDerWaalsContact C-N 3.3Å; H343-L345 PolarHBondContact O-N 3.19Å; H343-E346 PolarHBondContact O-N 3.36Å; H343-E347 WeakPolarHBondContact O-CB 3.3Å; H343-E347 PolarHBondContact O-N 2.87Å |
| 344 | D | 87.1 | Confident | 78.7 | Confident | 59 Ų | 59 | 109.6 Ų | 109.6 | 32% | 0.316 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70 | -29 | -177.6 | -61.4 | 2 | 0 | 0 | 0 | 112.2 | P339 N341 E342 R348 | P339-D344 HydrophobicContact CB-CB 3.93Å; N341-D344 PolarHBondContact O-N 3.21Å; N341-D344 VanDerWaalsContact O-N 3.15Å; E342-D344 VanDerWaalsContact C-N 3.28Å; E342-D344 PolarHBondContact O-N 2.99Å; D344-R348 WeakPolarHBondContact O-CD 3.18Å; D344-R348 WeakPolarHBondContact O-CG 3.3Å; D344-R348 PolarHBondContact O-N 2.74Å |
| 345 | L | 86.4 | Confident | 80.9 | Confident | 81 Ų | 81 | 111.8 Ų | 111.8 | 42% | 0.424 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -76 | -41.6 | 174.8 | -76.2 | 166.8 | 0 | 0 | 0 | 110.8 | P339 E342 H343 R348 R349 | P339-L345 HydrophobicContact CB-CD2 4.49Å; P339-L345 HydrophobicContact CB-CG 4.07Å; P339-L345 HydrophobicContact CG-CD2 3.93Å; P339-L345 HydrophobicContact CG-CG 4.06Å; E342-L345 WeakPolarHBondContact O-CB 3.49Å; E342-L345 PolarHBondContact O-N 3.07Å; E342-L345 VanDerWaalsContact O-N 3.11Å; H343-L345 VanDerWaalsContact C-N 3.3Å; H343-L345 PolarHBondContact O-N 3.19Å; L345-R348 PolarHBondContact O-N 3.01Å; L345-R349 WeakPolarHBondContact O-CG 3.44Å; L345-R349 PolarHBondContact O-N 2.98Å |
| 346 | E | 90.7 | Very high | 82.9 | Confident | 90 Ų | 90 | 111.5 Ų | 111.5 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.6 | -35.4 | 177.7 | -162 | 52.4 | -132.1 | 0 | 0 | 112.1 | E342 H343 R348 R349 A350 | E342-E346 PolarHBondContact O-N 2.74Å; H343-E346 PolarHBondContact O-N 3.36Å; E346-R348 VanDerWaalsContact C-N 3.33Å; E346-R348 PolarHBondContact O-N 3.34Å; E346-R349 WeakPolarHBondContact O-CB 3.36Å; E346-R349 PolarHBondContact O-N 3.13Å; E346-R349 VanDerWaalsContact O-N 3.17Å; E346-R349 WeakPolarHBondContact OE2-CD 3.4Å; E346-R349 IonicContact OE2-CZ 3.71Å; E346-R349 IonicContact OE2-NE 3.8Å; E346-R349 IonicContact OE2-NH1 2.83Å; E346-R349 PolarHBondContact OE2-NH1 3.3Å; E346-A350 WeakPolarHBondContact O-CB 3.32Å; E346-A350 PolarHBondContact O-N 3.03Å |
| 347 | E | 90.5 | Very high | 85.1 | Confident | 80 Ų | 80 | 112.7 Ų | 112.7 | 37% | 0.374 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 172.1 | -157.1 | -158.3 | 163 | 0 | 0 | 111.6 | H343 A350 R351 | H343-E347 WeakPolarHBondContact O-CB 3.3Å; H343-E347 PolarHBondContact O-N 2.87Å; E347-A350 PolarHBondContact O-N 3.41Å; E347-R351 WeakPolarHBondContact O-CB 3.26Å; E347-R351 VanDerWaalsContact O-CG 3.23Å; E347-R351 WeakPolarHBondContact O-CG 3.37Å; E347-R351 PolarHBondContact O-N 2.86Å; E347-R351 IonicContact OE1-CZ 2.77Å; E347-R351 IonicContact OE1-NE 3.13Å; E347-R351 PolarHBondContact OE1-NE 3.35Å; E347-R351 IonicContact OE1-NH2 2.65Å; E347-R351 PolarHBondContact OE1-NH2 3.31Å; E347-R351 IonicContact OE2-NH2 3.96Å |
| 348 | R | 91 | Very high | 87 | Confident | 159 Ų | 159 | 107.9 Ų | 107.9 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.8 | -37.7 | 173.3 | -74.1 | 171.8 | -170.6 | -167.9 | 4.8 | 112.3 | D344 L345 E346 S352 | D344-R348 WeakPolarHBondContact O-CD 3.18Å; D344-R348 WeakPolarHBondContact O-CG 3.3Å; D344-R348 PolarHBondContact O-N 2.74Å; L345-R348 PolarHBondContact O-N 3.01Å; E346-R348 VanDerWaalsContact C-N 3.33Å; E346-R348 PolarHBondContact O-N 3.34Å; R348-S352 VanDerWaalsContact O-CB 3.29Å; R348-S352 WeakPolarHBondContact O-CB 3.48Å; R348-S352 PolarHBondContact O-N 3.11Å |
| 349 | R | 93.4 | Very high | 89 | Confident | 149 Ų | 149 | 109.9 Ų | 109.9 | 56% | 0.562 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.9 | -48.7 | 172.7 | -74 | 165.1 | 171.3 | 176 | 0.9 | 111.4 | L345 E346 R351 S352 I353 | L345-R349 WeakPolarHBondContact O-CG 3.44Å; L345-R349 PolarHBondContact O-N 2.98Å; E346-R349 WeakPolarHBondContact O-CB 3.36Å; E346-R349 PolarHBondContact O-N 3.13Å; E346-R349 VanDerWaalsContact O-N 3.17Å; E346-R349 WeakPolarHBondContact OE2-CD 3.4Å; E346-R349 IonicContact OE2-CZ 3.71Å; E346-R349 IonicContact OE2-NE 3.8Å; E346-R349 IonicContact OE2-NH1 2.83Å; E346-R349 PolarHBondContact OE2-NH1 3.3Å; R349-R351 PolarHBondContact O-N 3.39Å; R349-S352 WeakPolarHBondContact O-CB 3.48Å; R349-S352 PolarHBondContact O-N 2.85Å; R349-S352 VanDerWaalsContact O-N 3.15Å; R349-I353 VanDerWaalsContact O-CG1 3.3Å; R349-I353 WeakPolarHBondContact O-CG1 3.4Å; R349-I353 PolarHBondContact O-N 3.48Å |
| 350 | A | 94.7 | Very high | 91 | Very high | 41 Ų | 41 | 111.1 Ų | 111.1 | 34% | 0.339 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.1 | -47.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E346 E347 S352 I353 Q354 | E346-A350 WeakPolarHBondContact O-CB 3.32Å; E346-A350 PolarHBondContact O-N 3.03Å; E347-A350 PolarHBondContact O-N 3.41Å; A350-S352 PolarHBondContact O-N 2.96Å; A350-I353 PolarHBondContact O-N 2.74Å; A350-Q354 WeakPolarHBondContact O-CB 3.5Å; A350-Q354 WeakPolarHBondContact O-CG 3.46Å; A350-Q354 PolarHBondContact O-N 3.03Å |
| 351 | R | 95.3 | Very high | 92.7 | Very high | 142 Ų | 142 | 105.5 Ų | 105.5 | 54% | 0.536 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 174.1 | -72.1 | 170.1 | 177.5 | -130.6 | 10.7 | 112.1 | E347 R349 Q354 Q355 | E347-R351 WeakPolarHBondContact O-CB 3.26Å; E347-R351 VanDerWaalsContact O-CG 3.23Å; E347-R351 WeakPolarHBondContact O-CG 3.37Å; E347-R351 PolarHBondContact O-N 2.86Å; E347-R351 IonicContact OE1-CZ 2.77Å; E347-R351 IonicContact OE1-NE 3.13Å; E347-R351 PolarHBondContact OE1-NE 3.35Å; E347-R351 IonicContact OE1-NH2 2.65Å; E347-R351 PolarHBondContact OE1-NH2 3.31Å; E347-R351 IonicContact OE2-NH2 3.96Å; R349-R351 PolarHBondContact O-N 3.39Å; R351-Q354 PolarHBondContact O-N 3Å; R351-Q355 WeakPolarHBondContact O-CG 3.34Å; R351-Q355 PolarHBondContact O-N 3.49Å |
| 352 | S | 96.2 | Very high | 93.7 | Very high | 72 Ų | 72 | 107.3 Ų | 107.3 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 176.2 | -176.8 | 0 | 0 | 0 | 0 | 112.5 | R348 R349 A350 Q355 K356 | R348-S352 VanDerWaalsContact O-CB 3.29Å; R348-S352 WeakPolarHBondContact O-CB 3.48Å; R348-S352 PolarHBondContact O-N 3.11Å; R349-S352 WeakPolarHBondContact O-CB 3.48Å; R349-S352 PolarHBondContact O-N 2.85Å; R349-S352 VanDerWaalsContact O-N 3.15Å; A350-S352 PolarHBondContact O-N 2.96Å; S352-Q355 PolarHBondContact O-N 2.84Å; S352-K356 PolarHBondContact O-N 2.86Å |
| 353 | I | 96.3 | Very high | 94.4 | Very high | 91 Ų | 91 | 103.2 Ų | 103.2 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 175.1 | -68.7 | 164.1 | 0 | 0 | 0 | 110.8 | R349 A350 K356 K357 | R349-I353 VanDerWaalsContact O-CG1 3.3Å; R349-I353 WeakPolarHBondContact O-CG1 3.4Å; R349-I353 PolarHBondContact O-N 3.48Å; A350-I353 PolarHBondContact O-N 2.74Å; I353-K356 PolarHBondContact O-N 3.32Å; I353-K357 HydrophobicContact CG2-CD 4.35Å; I353-K357 WeakPolarHBondContact O-CB 3.37Å; I353-K357 WeakPolarHBondContact O-CG 3.19Å; I353-K357 PolarHBondContact O-N 3.33Å |
| 354 | Q | 96.9 | Very high | 94.8 | Very high | 131 Ų | 131 | 103.9 Ų | 103.9 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 173.7 | -74.8 | 175.5 | -4.1 | 0 | 0 | 112 | A350 R351 K356 K357 A358 | A350-Q354 WeakPolarHBondContact O-CB 3.5Å; A350-Q354 WeakPolarHBondContact O-CG 3.46Å; A350-Q354 PolarHBondContact O-N 3.03Å; R351-Q354 PolarHBondContact O-N 3Å; Q354-K356 PolarHBondContact O-N 3.5Å; Q354-K357 PolarHBondContact O-N 3.35Å; Q354-A358 PolarHBondContact O-N 3.42Å |
| 355 | Q | 96.9 | Very high | 95.3 | Very high | 133 Ų | 133 | 106.1 Ų | 106.1 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.2 | -43.9 | 175.5 | -75.9 | 177.4 | -6.6 | 0 | 0 | 111.9 | R351 S352 A358 I359 | R351-Q355 WeakPolarHBondContact O-CG 3.34Å; R351-Q355 PolarHBondContact O-N 3.49Å; S352-Q355 PolarHBondContact O-N 2.84Å; Q355-A358 PolarHBondContact O-N 2.92Å; Q355-I359 WeakPolarHBondContact O-CG1 3.35Å; Q355-I359 PolarHBondContact O-N 2.88Å |
| 356 | K | 97 | Very high | 95.8 | Very high | 133 Ų | 133 | 107.8 Ų | 107.8 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.1 | -47.4 | 175 | -176.4 | 177.7 | 175.6 | -175.8 | 0 | 111.6 | S352 I353 Q354 A358 I359 D360 | S352-K356 PolarHBondContact O-N 2.86Å; I353-K356 PolarHBondContact O-N 3.32Å; Q354-K356 PolarHBondContact O-N 3.5Å; K356-A358 VanDerWaalsContact C-N 3.32Å; K356-A358 PolarHBondContact O-N 3.47Å; K356-I359 PolarHBondContact O-N 3.2Å; K356-I359 VanDerWaalsContact O-N 3.17Å; K356-D360 VanDerWaalsContact CE-OD2 3.3Å; K356-D360 WeakPolarHBondContact CE-OD2 3.46Å; K356-D360 WeakPolarHBondContact CG-OD2 3.26Å; K356-D360 PolarHBondContact O-N 2.88Å |
| 357 | K | 97.6 | Very high | 96.1 | Very high | 139 Ų | 139 | 111.8 Ų | 111.8 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.8 | -44.3 | 176.8 | -77.5 | 178.5 | 177.2 | -174.5 | 0 | 112 | I353 Q354 I359 D360 E361 | I353-K357 HydrophobicContact CG2-CD 4.35Å; I353-K357 WeakPolarHBondContact O-CB 3.37Å; I353-K357 WeakPolarHBondContact O-CG 3.19Å; I353-K357 PolarHBondContact O-N 3.33Å; Q354-K357 PolarHBondContact O-N 3.35Å; K357-I359 VanDerWaalsContact C-N 3.35Å; K357-I359 PolarHBondContact O-N 2.89Å; K357-D360 PolarHBondContact O-N 2.93Å; K357-E361 VanDerWaalsContact O-CB 3.26Å; K357-E361 WeakPolarHBondContact O-CB 3.32Å; K357-E361 PolarHBondContact O-N 2.9Å |
| 358 | A | 97.5 | Very high | 96.4 | Very high | 45 Ų | 45 | 115.4 Ų | 115.4 | 37% | 0.372 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.5 | -36.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q354 Q355 K356 Q362 | Q354-A358 PolarHBondContact O-N 3.42Å; Q355-A358 PolarHBondContact O-N 2.92Å; K356-A358 VanDerWaalsContact C-N 3.32Å; K356-A358 PolarHBondContact O-N 3.47Å; A358-Q362 WeakPolarHBondContact O-CG 3.28Å; A358-Q362 PolarHBondContact O-N 2.85Å |
| 359 | I | 97.5 | Very high | 96.7 | Very high | 97 Ų | 97 | 114.2 Ų | 114.2 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.3 | -46.4 | 174.3 | -67.7 | 165 | 0 | 0 | 0 | 110.8 | Q355 K356 K357 E361 Q362 I363 | Q355-I359 WeakPolarHBondContact O-CG1 3.35Å; Q355-I359 PolarHBondContact O-N 2.88Å; K356-I359 PolarHBondContact O-N 3.2Å; K356-I359 VanDerWaalsContact O-N 3.17Å; K357-I359 VanDerWaalsContact C-N 3.35Å; K357-I359 PolarHBondContact O-N 2.89Å; I359-E361 VanDerWaalsContact C-N 3.3Å; I359-E361 PolarHBondContact O-N 3.07Å; I359-Q362 PolarHBondContact O-N 3.14Å; I359-I363 HydrophobicContact CG2-CD1 3.88Å; I359-I363 VanDerWaalsContact O-CG1 3.3Å; I359-I363 WeakPolarHBondContact O-CG1 3.38Å; I359-I363 PolarHBondContact O-N 3.36Å |
| 360 | D | 97.8 | Very high | 96.8 | Very high | 67 Ų | 67 | 113.6 Ų | 113.6 | 36% | 0.358 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -38 | 177.9 | -72.6 | -29.6 | 0 | 0 | 0 | 111.2 | K356 K357 I363 Q364 | K356-D360 VanDerWaalsContact CE-OD2 3.3Å; K356-D360 WeakPolarHBondContact CE-OD2 3.46Å; K356-D360 WeakPolarHBondContact CG-OD2 3.26Å; K356-D360 PolarHBondContact O-N 2.88Å; K357-D360 PolarHBondContact O-N 2.93Å; D360-I363 PolarHBondContact O-N 3.33Å; D360-Q364 WeakPolarHBondContact O-CG 3.48Å; D360-Q364 PolarHBondContact O-N 3.13Å |
| 361 | E | 97 | Very high | 96.9 | Very high | 137 Ų | 137 | 118 Ų | 118 | 64% | 0.64 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.4 | -46.7 | 174.1 | -176.9 | 170 | -156.2 | 0 | 0 | 112.2 | K357 I359 I363 Q364 E365 | K357-E361 VanDerWaalsContact O-CB 3.26Å; K357-E361 WeakPolarHBondContact O-CB 3.32Å; K357-E361 PolarHBondContact O-N 2.9Å; I359-E361 VanDerWaalsContact C-N 3.3Å; I359-E361 PolarHBondContact O-N 3.07Å; E361-I363 VanDerWaalsContact C-N 3.29Å; E361-I363 PolarHBondContact O-N 2.68Å; E361-Q364 PolarHBondContact O-N 2.98Å; E361-Q364 VanDerWaalsContact O-N 3.14Å; E361-E365 PolarHBondContact O-N 2.94Å |
| 362 | Q | 97.5 | Very high | 96.9 | Very high | 125 Ų | 125 | 115.7 Ų | 115.7 | 58% | 0.584 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.5 | -37.1 | 174.1 | -76.4 | -178.8 | 5.9 | 0 | 0 | 112.4 | A358 I359 Q366 | A358-Q362 WeakPolarHBondContact O-CG 3.28Å; A358-Q362 PolarHBondContact O-N 2.85Å; I359-Q362 PolarHBondContact O-N 3.14Å; Q362-Q366 WeakPolarHBondContact O-CB 3.3Å; Q362-Q366 WeakPolarHBondContact O-CG 3.02Å; Q362-Q366 PolarHBondContact O-N 3.38Å |
| 363 | I | 97.3 | Very high | 96.9 | Very high | 75 Ų | 75 | 117.9 Ų | 117.9 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 175.1 | -69.5 | 166.7 | 0 | 0 | 0 | 110.8 | I359 D360 E361 R367 | I359-I363 HydrophobicContact CG2-CD1 3.88Å; I359-I363 VanDerWaalsContact O-CG1 3.3Å; I359-I363 WeakPolarHBondContact O-CG1 3.38Å; I359-I363 PolarHBondContact O-N 3.36Å; D360-I363 PolarHBondContact O-N 3.33Å; E361-I363 VanDerWaalsContact C-N 3.29Å; E361-I363 PolarHBondContact O-N 2.68Å; I363-R367 VanDerWaalsContact O-CG 3.29Å; I363-R367 WeakPolarHBondContact O-CG 3.34Å; I363-R367 PolarHBondContact O-N 2.99Å; I363-R367 VanDerWaalsContact O-N 3.11Å |
| 364 | Q | 97.1 | Very high | 96.9 | Very high | 135 Ų | 135 | 116 Ų | 116 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.9 | -42.4 | 175.6 | -73.2 | -179.6 | 43.2 | 0 | 0 | 112.2 | D360 E361 R367 R368 | D360-Q364 WeakPolarHBondContact O-CG 3.48Å; D360-Q364 PolarHBondContact O-N 3.13Å; E361-Q364 PolarHBondContact O-N 2.98Å; E361-Q364 VanDerWaalsContact O-N 3.14Å; Q364-R367 WeakPolarHBondContact O-CB 3.36Å; Q364-R367 PolarHBondContact O-N 3.42Å; Q364-R368 PolarHBondContact O-N 2.83Å |
| 365 | E | 96.7 | Very high | 96.8 | Very high | 107 Ų | 107 | 114.8 Ų | 114.8 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 175.7 | 175.7 | 156.2 | -112 | 0 | 0 | 112 | E361 R367 R368 K369 | E361-E365 PolarHBondContact O-N 2.94Å; E365-R367 VanDerWaalsContact C-N 3.26Å; E365-R367 PolarHBondContact O-N 3.31Å; E365-R368 PolarHBondContact O-N 3.49Å; E365-R368 IonicContact OE1-CZ 3.5Å; E365-R368 IonicContact OE1-NH2 3.15Å; E365-R368 PolarHBondContact OE1-NH2 3.33Å; E365-K369 WeakPolarHBondContact O-CB 3.43Å; E365-K369 PolarHBondContact O-N 2.97Å |
| 366 | Q | 97.2 | Very high | 96.7 | Very high | 116 Ų | 116 | 114.1 Ų | 114.1 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.5 | -34.6 | 174.5 | -75.5 | -171.2 | 31.3 | 0 | 0 | 112.6 | Q362 K370 | Q362-Q366 WeakPolarHBondContact O-CB 3.3Å; Q362-Q366 WeakPolarHBondContact O-CG 3.02Å; Q362-Q366 PolarHBondContact O-N 3.38Å; Q366-K370 WeakPolarHBondContact O-CB 3.37Å; Q366-K370 VanDerWaalsContact O-CG 3.3Å; Q366-K370 WeakPolarHBondContact O-CG 3.47Å; Q366-K370 PolarHBondContact O-N 3.46Å; Q366-K370 VanDerWaalsContact O-N 3.14Å |
| 367 | R | 96.8 | Very high | 96.7 | Very high | 173 Ų | 173 | 114.1 Ų | 114.1 | 65% | 0.653 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68 | -46.3 | 173.6 | -71.6 | 170.9 | -175.5 | -158 | 2.4 | 111.4 | I363 Q364 E365 K369 K370 L371 | I363-R367 VanDerWaalsContact O-CG 3.29Å; I363-R367 WeakPolarHBondContact O-CG 3.34Å; I363-R367 PolarHBondContact O-N 2.99Å; I363-R367 VanDerWaalsContact O-N 3.11Å; Q364-R367 WeakPolarHBondContact O-CB 3.36Å; Q364-R367 PolarHBondContact O-N 3.42Å; E365-R367 VanDerWaalsContact C-N 3.26Å; E365-R367 PolarHBondContact O-N 3.31Å; R367-K369 PolarHBondContact O-N 3.41Å; R367-K370 PolarHBondContact O-N 2.98Å; R367-L371 PolarHBondContact O-N 2.98Å |
| 368 | R | 96.2 | Very high | 96.6 | Very high | 157 Ų | 157 | 116.9 Ų | 116.9 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -55.6 | -51.2 | 174.8 | 178 | 176.2 | 68.4 | -173.3 | 0.5 | 111.3 | Q364 E365 K370 L371 E372 | Q364-R368 PolarHBondContact O-N 2.83Å; E365-R368 PolarHBondContact O-N 3.49Å; E365-R368 IonicContact OE1-CZ 3.5Å; E365-R368 IonicContact OE1-NH2 3.15Å; E365-R368 PolarHBondContact OE1-NH2 3.33Å; R368-K370 PolarHBondContact O-N 3.35Å; R368-L371 PolarHBondContact O-N 3.15Å; R368-E372 PolarHBondContact O-N 3.32Å; R368-E372 VanDerWaalsContact O-N 3.09Å |
| 369 | K | 97.1 | Very high | 96.6 | Very high | 133 Ų | 133 | 120.7 Ų | 120.7 | 58% | 0.578 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.4 | -42.4 | -179.2 | -175.8 | 174.8 | 177.7 | 178.2 | 0 | 112.4 | E365 R367 L371 E372 E373 | E365-K369 WeakPolarHBondContact O-CB 3.43Å; E365-K369 PolarHBondContact O-N 2.97Å; R367-K369 PolarHBondContact O-N 3.41Å; K369-L371 VanDerWaalsContact C-N 3.34Å; K369-L371 PolarHBondContact O-N 3.11Å; K369-E372 PolarHBondContact O-N 2.76Å; K369-E373 VanDerWaalsContact O-CB 3.29Å; K369-E373 WeakPolarHBondContact O-CB 3.4Å; K369-E373 PolarHBondContact O-N 2.97Å |
| 370 | K | 96.8 | Very high | 96.5 | Very high | 137 Ų | 137 | 119.7 Ų | 119.7 | 60% | 0.596 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.2 | -35.1 | 177.6 | -77.5 | 174.7 | 177.7 | 178.4 | 0 | 113.3 | Q366 R367 R368 A374 | Q366-K370 WeakPolarHBondContact O-CB 3.37Å; Q366-K370 VanDerWaalsContact O-CG 3.3Å; Q366-K370 WeakPolarHBondContact O-CG 3.47Å; Q366-K370 PolarHBondContact O-N 3.46Å; Q366-K370 VanDerWaalsContact O-N 3.14Å; R367-K370 PolarHBondContact O-N 2.98Å; R368-K370 PolarHBondContact O-N 3.35Å; K370-A374 WeakPolarHBondContact O-CB 3.43Å; K370-A374 PolarHBondContact O-N 2.87Å |
| 371 | L | 95.8 | Very high | 96.3 | Very high | 132 Ų | 132 | 122 Ų | 122 | 69% | 0.691 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.5 | -43 | 174.7 | -69 | 171.9 | 0 | 0 | 0 | 111.6 | R367 R368 K369 A374 E375 | R367-L371 PolarHBondContact O-N 2.98Å; R368-L371 PolarHBondContact O-N 3.15Å; K369-L371 VanDerWaalsContact C-N 3.34Å; K369-L371 PolarHBondContact O-N 3.11Å; L371-A374 PolarHBondContact O-N 3.1Å; L371-E375 PolarHBondContact O-N 2.9Å |
| 372 | E | 95.9 | Very high | 96.3 | Very high | 94 Ų | 94 | 120.4 Ų | 120.4 | 44% | 0.439 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 176.1 | -165.3 | -164.9 | 162.5 | 0 | 0 | 112.2 | R368 K369 E375 K376 | R368-E372 PolarHBondContact O-N 3.32Å; R368-E372 VanDerWaalsContact O-N 3.09Å; K369-E372 PolarHBondContact O-N 2.76Å; E372-E375 PolarHBondContact O-N 3.21Å; E372-K376 WeakPolarHBondContact O-CG 3.33Å; E372-K376 PolarHBondContact O-N 3.02Å; E372-K376 WeakPolarHBondContact OE1-CE 3.4Å; E372-K376 IonicContact OE1-NZ 3.79Å; E372-K376 PolarHBondContact OE1-NZ 3.16Å |
| 373 | E | 95.3 | Very high | 96.3 | Very high | 119 Ų | 119 | 121 Ų | 121 | 56% | 0.556 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.4 | -45.4 | 176.3 | -171.4 | 163.5 | -158.7 | 0 | 0 | 111.5 | K369 E375 K376 E377 | K369-E373 VanDerWaalsContact O-CB 3.29Å; K369-E373 WeakPolarHBondContact O-CB 3.4Å; K369-E373 PolarHBondContact O-N 2.97Å; E373-E375 VanDerWaalsContact C-N 3.33Å; E373-E375 PolarHBondContact O-N 3.3Å; E373-K376 PolarHBondContact O-N 2.74Å; E373-E377 PolarHBondContact O-N 3.41Å |
| 374 | A | 95.9 | Very high | 96.2 | Very high | 51 Ų | 51 | 121.5 Ų | 121.5 | 42% | 0.421 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -34.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K370 L371 R378 | K370-A374 WeakPolarHBondContact O-CB 3.43Å; K370-A374 PolarHBondContact O-N 2.87Å; L371-A374 PolarHBondContact O-N 3.1Å; A374-R378 WeakPolarHBondContact O-CB 3.38Å; A374-R378 PolarHBondContact O-N 3.4Å |
| 375 | E | 95.3 | Very high | 96.2 | Very high | 105 Ų | 105 | 118.3 Ų | 118.3 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.9 | -38.5 | 174.9 | -157.7 | -161 | 133.8 | 0 | 0 | 111.9 | L371 E372 E373 R378 K379 | L371-E375 PolarHBondContact O-N 2.9Å; E372-E375 PolarHBondContact O-N 3.21Å; E373-E375 VanDerWaalsContact C-N 3.33Å; E373-E375 PolarHBondContact O-N 3.3Å; E375-R378 PolarHBondContact O-N 3.35Å; E375-K379 WeakPolarHBondContact O-CG 3.5Å; E375-K379 PolarHBondContact O-N 3.07Å; E375-K379 VanDerWaalsContact OE1-CE 3.24Å; E375-K379 WeakPolarHBondContact OE1-CE 3.35Å; E375-K379 IonicContact OE1-NZ 3.89Å; E375-K379 PolarHBondContact OE1-NZ 3.29Å |
| 376 | K | 96.1 | Very high | 96.2 | Very high | 119 Ų | 119 | 118.9 Ų | 118.9 | 52% | 0.517 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | 173.3 | -73.5 | 169.8 | -175.3 | 171.2 | 0 | 111.6 | E372 E373 K379 E380 | E372-K376 WeakPolarHBondContact O-CG 3.33Å; E372-K376 PolarHBondContact O-N 3.02Å; E372-K376 WeakPolarHBondContact OE1-CE 3.4Å; E372-K376 IonicContact OE1-NZ 3.79Å; E372-K376 PolarHBondContact OE1-NZ 3.16Å; E373-K376 PolarHBondContact O-N 2.74Å; K376-K379 PolarHBondContact O-N 3.34Å; K376-E380 WeakPolarHBondContact O-CB 3.48Å; K376-E380 PolarHBondContact O-N 2.96Å |
| 377 | E | 96 | Very high | 96.2 | Very high | 133 Ų | 133 | 116.3 Ų | 116.3 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.8 | -45.4 | 174.8 | -174.3 | 175.9 | -156.9 | 0 | 0 | 111.3 | E373 K379 E380 M381 | E373-E377 PolarHBondContact O-N 3.41Å; E377-K379 PolarHBondContact O-N 3.4Å; E377-E380 PolarHBondContact O-N 3Å; E377-M381 WeakPolarHBondContact O-CB 3.5Å; E377-M381 WeakPolarHBondContact O-CG 3.43Å; E377-M381 PolarHBondContact O-N 2.88Å |
| 378 | R | 96.1 | Very high | 96.2 | Very high | 197 Ų | 197 | 113.7 Ų | 113.7 | 74% | 0.743 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.1 | -44.6 | 174.8 | -177.7 | -179.7 | 175.2 | -171.1 | -1.2 | 112.4 | A374 E375 E382 | A374-R378 WeakPolarHBondContact O-CB 3.38Å; A374-R378 PolarHBondContact O-N 3.4Å; E375-R378 PolarHBondContact O-N 3.35Å; R378-E382 PolarHBondContact O-N 3.23Å; R378-E382 VanDerWaalsContact O-N 3.11Å |
| 379 | K | 96.9 | Very high | 96.2 | Very high | 125 Ų | 125 | 111.3 Ų | 111.3 | 54% | 0.543 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | 178.2 | -78.5 | 167.8 | 167.6 | 169.9 | 0 | 112.4 | E375 K376 E377 R383 | E375-K379 WeakPolarHBondContact O-CG 3.5Å; E375-K379 PolarHBondContact O-N 3.07Å; E375-K379 VanDerWaalsContact OE1-CE 3.24Å; E375-K379 WeakPolarHBondContact OE1-CE 3.35Å; E375-K379 IonicContact OE1-NZ 3.89Å; E375-K379 PolarHBondContact OE1-NZ 3.29Å; K376-K379 PolarHBondContact O-N 3.34Å; E377-K379 PolarHBondContact O-N 3.4Å; K379-R383 PolarHBondContact O-N 2.9Å; K379-R383 VanDerWaalsContact O-N 3.08Å |
| 380 | E | 96.3 | Very high | 96.2 | Very high | 76 Ų | 76 | 112.2 Ų | 112.2 | 36% | 0.355 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.4 | -40.8 | 177 | 179.7 | 56.9 | -166.1 | 0 | 0 | 111.9 | K376 E377 E382 R383 I384 | K376-E380 WeakPolarHBondContact O-CB 3.48Å; K376-E380 PolarHBondContact O-N 2.96Å; E377-E380 PolarHBondContact O-N 3Å; E380-E382 VanDerWaalsContact C-N 3.31Å; E380-E382 PolarHBondContact O-N 3.17Å; E380-R383 CarbonylContact O-C 3.6Å; E380-R383 WeakPolarHBondContact O-CA 3.42Å; E380-R383 WeakPolarHBondContact O-CB 3.44Å; E380-R383 PolarHBondContact O-N 3.34Å; E380-R383 IonicContact OE1-CZ 2.89Å; E380-R383 IonicContact OE1-NE 2.76Å; E380-R383 PolarHBondContact OE1-NE 3.32Å; E380-R383 IonicContact OE1-NH2 3.97Å; E380-R383 PolarHBondContact OE1-NH2 3.45Å; E380-R383 IonicContact OE2-CZ 3.52Å; E380-R383 IonicContact OE2-NE 3.77Å; E380-R383 PolarHBondContact OE2-NE 2.86Å; E380-R383 IonicContact OE2-NH2 2.72Å; E380-I384 HydrophobicContact CG-CD1 3.95Å; E380-I384 HydrophobicContact CG-CG1 4.48Å; E380-I384 WeakPolarHBondContact O-CG1 3.29Å; E380-I384 PolarHBondContact O-N 2.89Å |
| 381 | M | 93.7 | Very high | 96.2 | Very high | 116 Ų | 116 | 109 Ų | 109 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.3 | -40.7 | 172.8 | -76.2 | -64.3 | -67.7 | 0 | 0 | 112.1 | E377 R383 I384 E385 | E377-M381 WeakPolarHBondContact O-CB 3.5Å; E377-M381 WeakPolarHBondContact O-CG 3.43Å; E377-M381 PolarHBondContact O-N 2.88Å; M381-R383 VanDerWaalsContact C-N 3.33Å; M381-R383 PolarHBondContact O-N 3.19Å; M381-I384 PolarHBondContact O-N 2.9Å; M381-E385 WeakPolarHBondContact O-CB 3.29Å; M381-E385 PolarHBondContact O-N 3.49Å |
| 382 | E | 96.1 | Very high | 96.2 | Very high | 104 Ų | 104 | 107.4 Ų | 107.4 | 49% | 0.486 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67 | -33.4 | 174 | -153 | -154.6 | 133.2 | 0 | 0 | 112.3 | R378 E380 R386 | R378-E382 PolarHBondContact O-N 3.23Å; R378-E382 VanDerWaalsContact O-N 3.11Å; E380-E382 VanDerWaalsContact C-N 3.31Å; E380-E382 PolarHBondContact O-N 3.17Å; E382-R386 WeakPolarHBondContact O-CB 3.45Å; E382-R386 VanDerWaalsContact O-CG 3.32Å; E382-R386 WeakPolarHBondContact O-CG 3.47Å; E382-R386 PolarHBondContact O-N 3.49Å; E382-R386 VanDerWaalsContact O-N 3.12Å; E382-R386 IonicContact OE1-CZ 2.74Å; E382-R386 IonicContact OE1-NE 2.62Å; E382-R386 PolarHBondContact OE1-NE 3.41Å; E382-R386 IonicContact OE1-NH2 2.68Å; E382-R386 PolarHBondContact OE1-NH2 3.03Å; E382-R386 IonicContact OE2-NH2 3.03Å; E382-R386 PolarHBondContact OE2-NH2 3.36Å |
| 383 | R | 97 | Very high | 96.3 | Very high | 138 Ų | 138 | 110.7 Ų | 110.7 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | 173.1 | -166.6 | -170.5 | 72.6 | 83.7 | 1.9 | 111.7 | K379 E380 M381 R386 E387 | K379-R383 PolarHBondContact O-N 2.9Å; K379-R383 VanDerWaalsContact O-N 3.08Å; E380-R383 CarbonylContact O-C 3.6Å; E380-R383 WeakPolarHBondContact O-CA 3.42Å; E380-R383 WeakPolarHBondContact O-CB 3.44Å; E380-R383 PolarHBondContact O-N 3.34Å; E380-R383 IonicContact OE1-CZ 2.89Å; E380-R383 IonicContact OE1-NE 2.76Å; E380-R383 PolarHBondContact OE1-NE 3.32Å; E380-R383 IonicContact OE1-NH2 3.97Å; E380-R383 PolarHBondContact OE1-NH2 3.45Å; E380-R383 IonicContact OE2-CZ 3.52Å; E380-R383 IonicContact OE2-NE 3.77Å; E380-R383 PolarHBondContact OE2-NE 2.86Å; E380-R383 IonicContact OE2-NH2 2.72Å; M381-R383 VanDerWaalsContact C-N 3.33Å; M381-R383 PolarHBondContact O-N 3.19Å; R383-R386 PolarHBondContact O-N 3.26Å; R383-E387 PolarHBondContact O-N 3.37Å |
| 384 | I | 96.3 | Very high | 96.4 | Very high | 84 Ų | 84 | 110.5 Ų | 110.5 | 43% | 0.431 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -48.1 | 179 | -69.9 | 167.1 | 0 | 0 | 0 | 110.4 | E380 M381 R386 E387 R388 | E380-I384 HydrophobicContact CG-CD1 3.95Å; E380-I384 HydrophobicContact CG-CG1 4.48Å; E380-I384 WeakPolarHBondContact O-CG1 3.29Å; E380-I384 PolarHBondContact O-N 2.89Å; M381-I384 PolarHBondContact O-N 2.9Å; I384-R386 VanDerWaalsContact C-N 3.33Å; I384-R386 PolarHBondContact O-N 3.47Å; I384-E387 PolarHBondContact O-N 3.14Å; I384-E387 VanDerWaalsContact O-N 3.15Å; I384-R388 WeakPolarHBondContact O-CB 3.46Å; I384-R388 PolarHBondContact O-N 2.86Å |
| 385 | E | 97.1 | Very high | 96.4 | Very high | 69 Ų | 69 | 113.7 Ų | 113.7 | 32% | 0.322 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 179 | 179.2 | 55.7 | -158.2 | 0 | 0 | 111.9 | M381 E387 R388 Q389 | M381-E385 WeakPolarHBondContact O-CB 3.29Å; M381-E385 PolarHBondContact O-N 3.49Å; E385-E387 VanDerWaalsContact C-N 3.33Å; E385-E387 PolarHBondContact O-N 3.18Å; E385-R388 PolarHBondContact O-N 2.83Å; E385-R388 IonicContact OE1-NH1 3.62Å; E385-R388 PolarHBondContact OE1-NH1 3Å; E385-R388 WeakPolarHBondContact OE2-CD 3.41Å; E385-R388 IonicContact OE2-CZ 3.83Å; E385-R388 IonicContact OE2-NH1 2.74Å; E385-R388 PolarHBondContact OE2-NH1 2.96Å; E385-Q389 WeakPolarHBondContact O-CG 3.3Å; E385-Q389 PolarHBondContact O-N 2.97Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.4Å; E385-Q389 PolarHBondContact OE1-NE2 3.44Å |
| 386 | R | 96.8 | Very high | 96.5 | Very high | 119 Ų | 119 | 111.6 Ų | 111.6 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -29.4 | 174.5 | -76.4 | -169.2 | -103.7 | 96.7 | -13.2 | 113.9 | E382 R383 I384 R390 | E382-R386 WeakPolarHBondContact O-CB 3.45Å; E382-R386 VanDerWaalsContact O-CG 3.32Å; E382-R386 WeakPolarHBondContact O-CG 3.47Å; E382-R386 PolarHBondContact O-N 3.49Å; E382-R386 VanDerWaalsContact O-N 3.12Å; E382-R386 IonicContact OE1-CZ 2.74Å; E382-R386 IonicContact OE1-NE 2.62Å; E382-R386 PolarHBondContact OE1-NE 3.41Å; E382-R386 IonicContact OE1-NH2 2.68Å; E382-R386 PolarHBondContact OE1-NH2 3.03Å; E382-R386 IonicContact OE2-NH2 3.03Å; E382-R386 PolarHBondContact OE2-NH2 3.36Å; R383-R386 PolarHBondContact O-N 3.26Å; I384-R386 VanDerWaalsContact C-N 3.33Å; I384-R386 PolarHBondContact O-N 3.47Å; R386-R390 WeakPolarHBondContact O-CD 3.3Å; R386-R390 WeakPolarHBondContact O-CG 3.34Å |
| 387 | E | 96.2 | Very high | 96.6 | Very high | 61 Ų | 61 | 110.1 Ų | 110.1 | 29% | 0.285 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -84.6 | -32.1 | 170.8 | -168.5 | 57.4 | -139.3 | 0 | 0 | 112.5 | R383 I384 E385 Q389 R390 I391 R394 | R383-E387 PolarHBondContact O-N 3.37Å; I384-E387 PolarHBondContact O-N 3.14Å; I384-E387 VanDerWaalsContact O-N 3.15Å; E385-E387 VanDerWaalsContact C-N 3.33Å; E385-E387 PolarHBondContact O-N 3.18Å; E387-Q389 VanDerWaalsContact C-N 3.32Å; E387-Q389 PolarHBondContact O-N 3.3Å; E387-R390 WeakPolarHBondContact O-CB 3.42Å; E387-R390 PolarHBondContact O-N 2.91Å; E387-R390 VanDerWaalsContact O-N 3.08Å; E387-R390 WeakPolarHBondContact OE2-CD 3.4Å; E387-R390 IonicContact OE2-CZ 3.4Å; E387-R390 IonicContact OE2-NE 2.81Å; E387-R390 IonicContact OE2-NH1 3.37Å; E387-R390 PolarHBondContact OE2-NH1 3.5Å; E387-I391 HydrophobicContact CG-CD1 4.37Å; E387-I391 WeakPolarHBondContact O-CG1 3.35Å; E387-I391 PolarHBondContact O-N 3.02Å; E387-R394 IonicContact OE1-CZ 3.34Å; E387-R394 IonicContact OE1-NH1 3.35Å; E387-R394 PolarHBondContact OE1-NH1 3.07Å; E387-R394 VanDerWaalsContact OE1-NH1 3.13Å; E387-R394 IonicContact OE1-NH2 3.58Å; E387-R394 PolarHBondContact OE1-NH2 3.14Å |
| 388 | R | 96.8 | Very high | 96.6 | Very high | 118 Ų | 118 | 109.5 Ų | 109.5 | 45% | 0.445 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.9 | -46.6 | 171.1 | 178 | 178.2 | 155 | -92.2 | -24.2 | 111.1 | I384 E385 R390 I391 E392 | I384-R388 WeakPolarHBondContact O-CB 3.46Å; I384-R388 PolarHBondContact O-N 2.86Å; E385-R388 PolarHBondContact O-N 2.83Å; E385-R388 IonicContact OE1-NH1 3.62Å; E385-R388 PolarHBondContact OE1-NH1 3Å; E385-R388 WeakPolarHBondContact OE2-CD 3.41Å; E385-R388 IonicContact OE2-CZ 3.83Å; E385-R388 IonicContact OE2-NH1 2.74Å; E385-R388 PolarHBondContact OE2-NH1 2.96Å; R388-R390 VanDerWaalsContact C-N 3.27Å; R388-R390 PolarHBondContact O-N 3.15Å; R388-I391 WeakPolarHBondContact O-CB 3.46Å; R388-I391 PolarHBondContact O-N 3.48Å; R388-I391 VanDerWaalsContact O-N 3.17Å; R388-E392 IonicContact CZ-OE2 2.6Å; R388-E392 IonicContact NE-OE2 3.65Å; R388-E392 IonicContact NH2-OE2 2.74Å; R388-E392 PolarHBondContact NH2-OE2 2.93Å; R388-E392 WeakPolarHBondContact O-CB 3.29Å; R388-E392 PolarHBondContact O-N 3.43Å |
| 389 | Q | 96.9 | Very high | 96.7 | Very high | 108 Ų | 108 | 101.9 Ų | 101.9 | 51% | 0.505 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.3 | -32.6 | 176.7 | -70.1 | 172.5 | 12 | 0 | 0 | 113 | E385 E387 Y393 | E385-Q389 WeakPolarHBondContact O-CG 3.3Å; E385-Q389 PolarHBondContact O-N 2.97Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.4Å; E385-Q389 PolarHBondContact OE1-NE2 3.44Å; E387-Q389 VanDerWaalsContact C-N 3.32Å; E387-Q389 PolarHBondContact O-N 3.3Å; Q389-Y393 WeakPolarHBondContact O-CB 3.49Å; Q389-Y393 PolarHBondContact O-N 3.49Å |
| 390 | R | 96.5 | Very high | 96.8 | Very high | 152 Ų | 152 | 102.7 Ų | 102.7 | 57% | 0.574 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -72.9 | -37 | 174.1 | -70 | 165 | 168.4 | -176.6 | -1.7 | 112.5 | R386 E387 R388 R394 | R386-R390 WeakPolarHBondContact O-CD 3.3Å; R386-R390 WeakPolarHBondContact O-CG 3.34Å; E387-R390 WeakPolarHBondContact O-CB 3.42Å; E387-R390 PolarHBondContact O-N 2.91Å; E387-R390 VanDerWaalsContact O-N 3.08Å; E387-R390 WeakPolarHBondContact OE2-CD 3.4Å; E387-R390 IonicContact OE2-CZ 3.4Å; E387-R390 IonicContact OE2-NE 2.81Å; E387-R390 IonicContact OE2-NH1 3.37Å; E387-R390 PolarHBondContact OE2-NH1 3.5Å; R388-R390 VanDerWaalsContact C-N 3.27Å; R388-R390 PolarHBondContact O-N 3.15Å; R390-R394 WeakPolarHBondContact O-CG 3.39Å; R390-R394 PolarHBondContact O-N 3.38Å; R390-R394 VanDerWaalsContact O-N 3.17Å; R390-R394 PolarHBondContact O-NE 2.87Å |
| 391 | I | 96.7 | Very high | 96.8 | Very high | 69 Ų | 69 | 104.8 Ų | 104.8 | 35% | 0.354 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -52.4 | 171.4 | -66.8 | 161 | 0 | 0 | 0 | 109.2 | E387 R388 Y393 R394 E395 | E387-I391 HydrophobicContact CG-CD1 4.37Å; E387-I391 WeakPolarHBondContact O-CG1 3.35Å; E387-I391 PolarHBondContact O-N 3.02Å; R388-I391 WeakPolarHBondContact O-CB 3.46Å; R388-I391 PolarHBondContact O-N 3.48Å; R388-I391 VanDerWaalsContact O-N 3.17Å; I391-Y393 VanDerWaalsContact C-N 3.31Å; I391-Y393 PolarHBondContact O-N 2.96Å; I391-R394 WeakPolarHBondContact O-CA 3.35Å; I391-R394 WeakPolarHBondContact O-CB 3.17Å; I391-R394 PolarHBondContact O-N 2.6Å; I391-E395 HydrophobicContact CG2-CG 4.16Å; I391-E395 VanDerWaalsContact CG2-OE1 3.28Å; I391-E395 WeakPolarHBondContact CG2-OE1 3.28Å; I391-E395 WeakPolarHBondContact O-CG 3.37Å; I391-E395 PolarHBondContact O-N 3.02Å |
| 392 | E | 97 | Very high | 97 | Very high | 99 Ų | 99 | 104.2 Ų | 104.2 | 46% | 0.463 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59 | -38.5 | -178.9 | -171 | 165.9 | 171.1 | 0 | 0 | 112.3 | R388 A396 | R388-E392 IonicContact CZ-OE2 2.6Å; R388-E392 IonicContact NE-OE2 3.65Å; R388-E392 IonicContact NH2-OE2 2.74Å; R388-E392 PolarHBondContact NH2-OE2 2.93Å; R388-E392 WeakPolarHBondContact O-CB 3.29Å; R388-E392 PolarHBondContact O-N 3.43Å; E392-A396 VanDerWaalsContact O-CB 3.23Å; E392-A396 WeakPolarHBondContact O-CB 3.32Å; E392-A396 PolarHBondContact O-N 2.97Å |
| 393 | Y | 97.4 | Very high | 97 | Very high | 162 Ų | 162 | 107.8 Ų | 107.8 | 64% | 0.635 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.6 | -40.5 | 172.7 | -176.3 | -94.4 | 0 | 0 | 0 | 113.4 | Q389 I391 M397 | Q389-Y393 WeakPolarHBondContact O-CB 3.49Å; Q389-Y393 PolarHBondContact O-N 3.49Å; I391-Y393 VanDerWaalsContact C-N 3.31Å; I391-Y393 PolarHBondContact O-N 2.96Å; Y393-M397 HydrophobicContact CE1-CG 4.19Å; Y393-M397 WeakPolarHBondContact O-CG 3.49Å; Y393-M397 PolarHBondContact O-N 3.41Å; Y393-M397 VanDerWaalsContact O-N 3.16Å |
| 394 | R | 97.3 | Very high | 97.1 | Very high | 115 Ų | 115 | 103.9 Ų | 103.9 | 43% | 0.434 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.7 | -49.5 | 175.3 | -71.6 | -178.3 | -63.1 | -110.5 | 6.3 | 110.7 | E387 R390 I391 A396 M397 E398 | E387-R394 IonicContact OE1-CZ 3.34Å; E387-R394 IonicContact OE1-NH1 3.35Å; E387-R394 PolarHBondContact OE1-NH1 3.07Å; E387-R394 VanDerWaalsContact OE1-NH1 3.13Å; E387-R394 IonicContact OE1-NH2 3.58Å; E387-R394 PolarHBondContact OE1-NH2 3.14Å; R390-R394 WeakPolarHBondContact O-CG 3.39Å; R390-R394 PolarHBondContact O-N 3.38Å; R390-R394 VanDerWaalsContact O-N 3.17Å; R390-R394 PolarHBondContact O-NE 2.87Å; I391-R394 WeakPolarHBondContact O-CA 3.35Å; I391-R394 WeakPolarHBondContact O-CB 3.17Å; I391-R394 PolarHBondContact O-N 2.6Å; R394-A396 VanDerWaalsContact C-N 3.33Å; R394-A396 PolarHBondContact O-N 3.41Å; R394-M397 PolarHBondContact O-N 3.09Å; R394-M397 VanDerWaalsContact O-N 3.15Å; R394-E398 WeakPolarHBondContact O-CG 3.33Å; R394-E398 PolarHBondContact O-N 2.9Å |
| 395 | E | 96.7 | Very high | 97.2 | Very high | 119 Ų | 119 | 106.9 Ų | 106.9 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.4 | -37.6 | 178.3 | -69.9 | 179.9 | 178.4 | 0 | 0 | 112.5 | I391 E398 S399 | I391-E395 HydrophobicContact CG2-CG 4.16Å; I391-E395 VanDerWaalsContact CG2-OE1 3.28Å; I391-E395 WeakPolarHBondContact CG2-OE1 3.28Å; I391-E395 WeakPolarHBondContact O-CG 3.37Å; I391-E395 PolarHBondContact O-N 3.02Å; E395-E398 PolarHBondContact O-N 3.48Å; E395-S399 VanDerWaalsContact O-CB 3.25Å; E395-S399 WeakPolarHBondContact O-CB 3.31Å; E395-S399 PolarHBondContact O-N 2.93Å |
| 396 | A | 97.7 | Very high | 97.2 | Very high | 61 Ų | 61 | 111.3 Ų | 111.3 | 50% | 0.504 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E392 R394 K400 | E392-A396 VanDerWaalsContact O-CB 3.23Å; E392-A396 WeakPolarHBondContact O-CB 3.32Å; E392-A396 PolarHBondContact O-N 2.97Å; R394-A396 VanDerWaalsContact C-N 3.33Å; R394-A396 PolarHBondContact O-N 3.41Å; A396-K400 WeakPolarHBondContact O-CB 3.22Å; A396-K400 PolarHBondContact O-N 2.95Å |
| 397 | M | 96.9 | Very high | 97.3 | Very high | 87 Ų | 87 | 111.7 Ų | 111.7 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.5 | -42.6 | 175.4 | -77.3 | -66.9 | -70.4 | 0 | 0 | 112 | Y393 R394 K400 M401 | Y393-M397 HydrophobicContact CE1-CG 4.19Å; Y393-M397 WeakPolarHBondContact O-CG 3.49Å; Y393-M397 PolarHBondContact O-N 3.41Å; Y393-M397 VanDerWaalsContact O-N 3.16Å; R394-M397 PolarHBondContact O-N 3.09Å; R394-M397 VanDerWaalsContact O-N 3.15Å; M397-K400 WeakPolarHBondContact O-CB 3.5Å; M397-K400 PolarHBondContact O-N 3.22Å; M397-M401 WeakPolarHBondContact O-CG 3.45Å; M397-M401 PolarHBondContact O-N 3.42Å |
| 398 | E | 97.4 | Very high | 97.3 | Very high | 120 Ų | 120 | 117.2 Ų | 117.2 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.5 | -45.5 | 175.6 | -72.4 | 175.6 | -165 | 0 | 0 | 111.6 | R394 E395 K400 M401 E402 | R394-E398 WeakPolarHBondContact O-CG 3.33Å; R394-E398 PolarHBondContact O-N 2.9Å; E395-E398 PolarHBondContact O-N 3.48Å; E398-K400 VanDerWaalsContact C-N 3.28Å; E398-K400 PolarHBondContact O-N 3.33Å; E398-M401 HydrophobicContact CG-CE 4.09Å; E398-M401 PolarHBondContact O-N 2.89Å; E398-M401 VanDerWaalsContact O-N 3.13Å; E398-E402 WeakPolarHBondContact O-CB 3.37Å; E398-E402 PolarHBondContact O-N 3.3Å |
| 399 | S | 97.7 | Very high | 97.4 | Very high | 38 Ų | 38 | 116.6 Ų | 116.6 | 27% | 0.266 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.6 | -35.3 | 174.2 | -168.6 | 0 | 0 | 0 | 0 | 112.2 | E395 E402 R403 | E395-S399 VanDerWaalsContact O-CB 3.25Å; E395-S399 WeakPolarHBondContact O-CB 3.31Å; E395-S399 PolarHBondContact O-N 2.93Å; S399-E402 PolarHBondContact O-N 2.88Å; S399-R403 WeakPolarHBondContact O-CB 3.31Å; S399-R403 WeakPolarHBondContact O-CG 3.36Å; S399-R403 PolarHBondContact O-N 3.34Å; S399-R403 PolarHBondContact OG-NE 3.5Å; S399-R403 VanDerWaalsContact OG-NE 3.14Å; S399-R403 PolarHBondContact OG-NH2 3.22Å |
| 400 | K | 98 | Very high | 97.4 | Very high | 141 Ų | 141 | 117.6 Ų | 117.6 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.3 | -40.6 | 174.7 | -174.9 | 179.9 | 179.3 | -179 | 0 | 112.2 | A396 M397 E398 S404 | A396-K400 WeakPolarHBondContact O-CB 3.22Å; A396-K400 PolarHBondContact O-N 2.95Å; M397-K400 WeakPolarHBondContact O-CB 3.5Å; M397-K400 PolarHBondContact O-N 3.22Å; E398-K400 VanDerWaalsContact C-N 3.28Å; E398-K400 PolarHBondContact O-N 3.33Å; K400-S404 WeakPolarHBondContact O-CB 3.35Å; K400-S404 PolarHBondContact O-N 3.43Å; K400-S404 PolarHBondContact O-OG 2.73Å |
| 401 | M | 97.3 | Very high | 97.5 | Very high | 121 Ų | 121 | 113.5 Ų | 113.5 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.7 | -43.5 | 173.7 | -69.2 | -170.1 | -66.1 | 0 | 0 | 111.5 | M397 E398 S404 K405 | M397-M401 WeakPolarHBondContact O-CG 3.45Å; M397-M401 PolarHBondContact O-N 3.42Å; E398-M401 HydrophobicContact CG-CE 4.09Å; E398-M401 PolarHBondContact O-N 2.89Å; E398-M401 VanDerWaalsContact O-N 3.13Å; M401-S404 WeakPolarHBondContact O-CB 3.35Å; M401-S404 PolarHBondContact O-N 3.43Å; M401-K405 PolarHBondContact O-N 2.97Å |
| 402 | E | 97.5 | Very high | 97.6 | Very high | 104 Ų | 104 | 115.2 Ų | 115.2 | 49% | 0.486 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 178.3 | 173.3 | 162.3 | -140.5 | 0 | 0 | 111.9 | E398 S399 S404 K405 W406 | E398-E402 WeakPolarHBondContact O-CB 3.37Å; E398-E402 PolarHBondContact O-N 3.3Å; S399-E402 PolarHBondContact O-N 2.88Å; E402-S404 PolarHBondContact O-N 3.06Å; E402-K405 WeakPolarHBondContact O-CA 3.43Å; E402-K405 WeakPolarHBondContact O-CB 3.49Å; E402-K405 PolarHBondContact O-N 3.43Å; E402-W406 VanDerWaalsContact O-CD1 3.25Å; E402-W406 PolarHBondContact O-N 3.44Å; E402-W406 PolarHBondContact OE1-NE1 2.94Å |
| 403 | R | 97 | Very high | 97.6 | Very high | 178 Ų | 178 | 116.5 Ų | 116.5 | 67% | 0.672 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -56.2 | -38.2 | 173.5 | -71.8 | 171.1 | -153 | -154.7 | 5 | 111.8 | S399 K407 | S399-R403 WeakPolarHBondContact O-CB 3.31Å; S399-R403 WeakPolarHBondContact O-CG 3.36Å; S399-R403 PolarHBondContact O-N 3.34Å; S399-R403 PolarHBondContact OG-NE 3.5Å; S399-R403 VanDerWaalsContact OG-NE 3.14Å; S399-R403 PolarHBondContact OG-NH2 3.22Å; R403-K407 WeakPolarHBondContact O-CB 3.4Å; R403-K407 PolarHBondContact O-N 3.41Å |
| 404 | S | 97.3 | Very high | 97.6 | Very high | 56 Ų | 56 | 113.6 Ų | 113.6 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.6 | -32.9 | 176.7 | -57 | 0 | 0 | 0 | 0 | 112.5 | K400 M401 E402 R408 | K400-S404 WeakPolarHBondContact O-CB 3.35Å; K400-S404 PolarHBondContact O-N 3.43Å; K400-S404 PolarHBondContact O-OG 2.73Å; M401-S404 WeakPolarHBondContact O-CB 3.35Å; M401-S404 PolarHBondContact O-N 3.43Å; E402-S404 PolarHBondContact O-N 3.06Å; S404-R408 WeakPolarHBondContact O-CG 3.3Å; S404-R408 PolarHBondContact O-N 3Å |
| 405 | K | 98.3 | Very high | 97.6 | Very high | 147 Ų | 147 | 114.1 Ų | 114.1 | 64% | 0.639 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.8 | -48.1 | 172.8 | -176.9 | -173.1 | 176.1 | -171.6 | 0 | 111.4 | M401 E402 K407 R408 M409 | M401-K405 PolarHBondContact O-N 2.97Å; E402-K405 WeakPolarHBondContact O-CA 3.43Å; E402-K405 WeakPolarHBondContact O-CB 3.49Å; E402-K405 PolarHBondContact O-N 3.43Å; K405-K407 PolarHBondContact O-N 2.87Å; K405-R408 PolarHBondContact O-N 2.89Å; K405-M409 WeakPolarHBondContact O-CG 3.37Å; K405-M409 PolarHBondContact O-N 3.21Å |
| 406 | W | 97.8 | Very high | 97.7 | Very high | 163 Ų | 163 | 117.4 Ų | 117.4 | 62% | 0.617 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.2 | -42.4 | 176.2 | -76.6 | 110.3 | 0 | 0 | 0 | 111.9 | E402 R408 M409 Q410 | E402-W406 VanDerWaalsContact O-CD1 3.25Å; E402-W406 PolarHBondContact O-N 3.44Å; E402-W406 PolarHBondContact OE1-NE1 2.94Å; W406-R408 PolarHBondContact O-N 2.83Å; W406-M409 WeakPolarHBondContact O-CB 3.34Å; W406-M409 PolarHBondContact O-N 3.45Å; W406-Q410 PolarHBondContact O-N 3.38Å |
| 407 | K | 98.3 | Very high | 97.7 | Very high | 126 Ų | 126 | 120 Ų | 120 | 55% | 0.548 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.5 | -48.9 | 173.7 | -180 | 169.1 | 178.8 | 176.9 | 0 | 111.7 | R403 K405 M409 Q410 D411 | R403-K407 WeakPolarHBondContact O-CB 3.4Å; R403-K407 PolarHBondContact O-N 3.41Å; K405-K407 PolarHBondContact O-N 2.87Å; K407-M409 VanDerWaalsContact C-N 3.26Å; K407-M409 PolarHBondContact O-N 3.21Å; K407-Q410 CarbonylContact O-C 3.59Å; K407-Q410 WeakPolarHBondContact O-CB 3.34Å; K407-Q410 PolarHBondContact O-N 3.29Å; K407-Q410 VanDerWaalsContact O-N 3.07Å; K407-D411 WeakPolarHBondContact CE-OD1 3.34Å; K407-D411 WeakPolarHBondContact CE-OD2 3.42Å; K407-D411 WeakPolarHBondContact CG-OD2 3.43Å; K407-D411 PolarHBondContact O-N 3.22Å |
| 408 | R | 97.7 | Very high | 97.8 | Very high | 177 Ų | 177 | 119.5 Ų | 119.5 | 67% | 0.668 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.5 | -35.4 | 176.9 | -72.8 | 173.8 | -173.6 | 170.5 | 2.2 | 113.2 | S404 K405 W406 L412 | S404-R408 WeakPolarHBondContact O-CG 3.3Å; S404-R408 PolarHBondContact O-N 3Å; K405-R408 PolarHBondContact O-N 2.89Å; W406-R408 PolarHBondContact O-N 2.83Å; R408-L412 WeakPolarHBondContact O-CB 3.47Å; R408-L412 VanDerWaalsContact O-CG 3.26Å; R408-L412 WeakPolarHBondContact O-CG 3.24Å; R408-L412 PolarHBondContact O-N 2.96Å |
| 409 | M | 97.4 | Very high | 97.8 | Very high | 106 Ų | 106 | 116.4 Ų | 116.4 | 52% | 0.522 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 174 | -72.1 | -59.4 | -53.1 | 0 | 0 | 111.5 | K405 W406 K407 L412 E413 | K405-M409 WeakPolarHBondContact O-CG 3.37Å; K405-M409 PolarHBondContact O-N 3.21Å; W406-M409 WeakPolarHBondContact O-CB 3.34Å; W406-M409 PolarHBondContact O-N 3.45Å; K407-M409 VanDerWaalsContact C-N 3.26Å; K407-M409 PolarHBondContact O-N 3.21Å; M409-L412 PolarHBondContact O-N 3.19Å; M409-E413 WeakPolarHBondContact O-CB 3.41Å; M409-E413 PolarHBondContact O-N 3.23Å |
| 410 | Q | 98.1 | Very high | 97.8 | Very high | 128 Ų | 128 | 119.9 Ų | 119.9 | 60% | 0.598 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.8 | -43 | 176.3 | -172.7 | 177.7 | 11.1 | 0 | 0 | 112.2 | W406 K407 L412 E413 Q414 | W406-Q410 PolarHBondContact O-N 3.38Å; K407-Q410 CarbonylContact O-C 3.59Å; K407-Q410 WeakPolarHBondContact O-CB 3.34Å; K407-Q410 PolarHBondContact O-N 3.29Å; K407-Q410 VanDerWaalsContact O-N 3.07Å; Q410-L412 VanDerWaalsContact C-N 3.28Å; Q410-L412 PolarHBondContact O-N 3.11Å; Q410-E413 PolarHBondContact O-N 2.95Å; Q410-Q414 WeakPolarHBondContact O-CB 3.49Å; Q410-Q414 PolarHBondContact O-N 2.74Å |
| 411 | D | 98.3 | Very high | 97.8 | Very high | 67 Ų | 67 | 118.2 Ų | 118.2 | 36% | 0.358 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.9 | -39.7 | 175.3 | -60.3 | -28.8 | 0 | 0 | 0 | 110.4 | K407 M415 | K407-D411 WeakPolarHBondContact CE-OD1 3.34Å; K407-D411 WeakPolarHBondContact CE-OD2 3.42Å; K407-D411 WeakPolarHBondContact CG-OD2 3.43Å; K407-D411 PolarHBondContact O-N 3.22Å; D411-M415 WeakPolarHBondContact O-CB 3.3Å; D411-M415 VanDerWaalsContact O-CG 3.27Å; D411-M415 WeakPolarHBondContact O-CG 3.31Å; D411-M415 PolarHBondContact O-N 3.23Å |
| 412 | L | 97.9 | Very high | 97.9 | Very high | 104 Ų | 104 | 119.4 Ų | 119.4 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72 | -33.8 | 175.5 | -76.3 | 170.2 | 0 | 0 | 0 | 113.7 | R408 M409 Q410 R416 | R408-L412 WeakPolarHBondContact O-CB 3.47Å; R408-L412 VanDerWaalsContact O-CG 3.26Å; R408-L412 WeakPolarHBondContact O-CG 3.24Å; R408-L412 PolarHBondContact O-N 2.96Å; M409-L412 PolarHBondContact O-N 3.19Å; Q410-L412 VanDerWaalsContact C-N 3.28Å; Q410-L412 PolarHBondContact O-N 3.11Å; L412-R416 WeakPolarHBondContact O-CG 3.27Å; L412-R416 PolarHBondContact O-N 3.17Å |
| 413 | E | 97.5 | Very high | 97.9 | Very high | 126 Ų | 126 | 117.9 Ų | 117.9 | 59% | 0.589 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.1 | -47.4 | 175 | -171 | 158.3 | -124.7 | 0 | 0 | 110.2 | M409 Q410 M415 R416 E417 | M409-E413 WeakPolarHBondContact O-CB 3.41Å; M409-E413 PolarHBondContact O-N 3.23Å; Q410-E413 PolarHBondContact O-N 2.95Å; E413-M415 VanDerWaalsContact C-N 3.32Å; E413-M415 PolarHBondContact O-N 3.49Å; E413-R416 WeakPolarHBondContact O-CA 3.21Å; E413-R416 WeakPolarHBondContact O-CB 3.46Å; E413-R416 PolarHBondContact O-N 3.35Å; E413-E417 PolarHBondContact O-N 3.39Å |
| 414 | Q | 98 | Very high | 98 | Very high | 102 Ų | 102 | 117.3 Ų | 117.3 | 48% | 0.477 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.7 | -38.3 | 174.2 | -170.3 | 178.1 | 8.1 | 0 | 0 | 112.4 | Q410 R416 E417 N418 | Q410-Q414 WeakPolarHBondContact O-CB 3.49Å; Q410-Q414 PolarHBondContact O-N 2.74Å; Q414-R416 VanDerWaalsContact C-N 3.28Å; Q414-R416 PolarHBondContact O-N 2.83Å; Q414-E417 PolarHBondContact O-N 3.32Å; Q414-N418 WeakPolarHBondContact O-CB 3.44Å; Q414-N418 PolarHBondContact O-N 2.99Å; Q414-N418 PolarHBondContact O-ND2 3.48Å |
| 415 | M | 97.8 | Very high | 98 | Very high | 126 Ų | 126 | 119.2 Ų | 119.2 | 62% | 0.621 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.6 | -32.9 | 173.2 | -78.7 | -64.9 | -61.7 | 0 | 0 | 113 | D411 E413 A419 | D411-M415 WeakPolarHBondContact O-CB 3.3Å; D411-M415 VanDerWaalsContact O-CG 3.27Å; D411-M415 WeakPolarHBondContact O-CG 3.31Å; D411-M415 PolarHBondContact O-N 3.23Å; E413-M415 VanDerWaalsContact C-N 3.32Å; E413-M415 PolarHBondContact O-N 3.49Å; M415-A419 WeakPolarHBondContact O-CB 3.32Å; M415-A419 PolarHBondContact O-N 3.09Å; M415-A419 VanDerWaalsContact O-N 3.13Å |
| 416 | R | 98 | Very high | 98 | Very high | 187 Ų | 187 | 118.3 Ų | 118.3 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -73.6 | -42.8 | 174.3 | -70.2 | 167 | 172.9 | -169.1 | -4.2 | 111.7 | L412 E413 Q414 A419 I420 | L412-R416 WeakPolarHBondContact O-CG 3.27Å; L412-R416 PolarHBondContact O-N 3.17Å; E413-R416 WeakPolarHBondContact O-CA 3.21Å; E413-R416 WeakPolarHBondContact O-CB 3.46Å; E413-R416 PolarHBondContact O-N 3.35Å; Q414-R416 VanDerWaalsContact C-N 3.28Å; Q414-R416 PolarHBondContact O-N 2.83Å; R416-A419 PolarHBondContact O-N 3.42Å; R416-I420 VanDerWaalsContact O-CG1 3.28Å; R416-I420 WeakPolarHBondContact O-CG1 3.37Å; R416-I420 PolarHBondContact O-N 3.11Å |
| 417 | E | 97.8 | Very high | 98 | Very high | 117 Ų | 117 | 113.2 Ų | 113.2 | 55% | 0.547 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 175 | -68.2 | -176.7 | 149.7 | 0 | 0 | 111.3 | E413 Q414 A419 I420 L421 | E413-E417 PolarHBondContact O-N 3.39Å; Q414-E417 PolarHBondContact O-N 3.32Å; E417-A419 PolarHBondContact O-N 3.49Å; E417-I420 PolarHBondContact O-N 3.39Å; E417-L421 WeakPolarHBondContact O-CG 3.37Å; E417-L421 PolarHBondContact O-N 2.74Å |
| 418 | N | 98.4 | Very high | 98.1 | Very high | 76 Ų | 76 | 112.4 Ų | 112.4 | 41% | 0.406 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.7 | -47 | 175.5 | -71.3 | -14.6 | 0 | 0 | 0 | 112 | Q414 I420 L421 E422 | Q414-N418 WeakPolarHBondContact O-CB 3.44Å; Q414-N418 PolarHBondContact O-N 2.99Å; Q414-N418 PolarHBondContact O-ND2 3.48Å; N418-I420 VanDerWaalsContact C-N 3.31Å; N418-I420 PolarHBondContact O-N 2.88Å; N418-L421 PolarHBondContact O-N 3.26Å; N418-E422 WeakPolarHBondContact O-CB 3.41Å; N418-E422 PolarHBondContact O-N 2.91Å |
| 419 | A | 98.2 | Very high | 98.1 | Very high | 54 Ų | 54 | 110 Ų | 110 | 45% | 0.446 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.8 | -33.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M415 R416 E417 S423 | M415-A419 WeakPolarHBondContact O-CB 3.32Å; M415-A419 PolarHBondContact O-N 3.09Å; M415-A419 VanDerWaalsContact O-N 3.13Å; R416-A419 PolarHBondContact O-N 3.42Å; E417-A419 PolarHBondContact O-N 3.49Å; A419-S423 WeakPolarHBondContact O-CB 3.42Å; A419-S423 PolarHBondContact O-N 2.59Å; A419-S423 PolarHBondContact O-OG 3.5Å |
| 420 | I | 98.3 | Very high | 98.1 | Very high | 112 Ų | 112 | 108.4 Ų | 108.4 | 57% | 0.574 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.2 | -46.6 | 172.7 | -70.4 | 164.5 | 0 | 0 | 0 | 110.2 | R416 E417 N418 S423 W424 | R416-I420 VanDerWaalsContact O-CG1 3.28Å; R416-I420 WeakPolarHBondContact O-CG1 3.37Å; R416-I420 PolarHBondContact O-N 3.11Å; E417-I420 PolarHBondContact O-N 3.39Å; N418-I420 VanDerWaalsContact C-N 3.31Å; N418-I420 PolarHBondContact O-N 2.88Å; I420-S423 PolarHBondContact O-N 3.04Å; I420-S423 PolarHBondContact O-OG 2.84Å; I420-W424 WeakPolarHBondContact O-CB 3.48Å; I420-W424 PolarHBondContact O-N 3.42Å |
| 421 | L | 98 | Very high | 98.1 | Very high | 105 Ų | 105 | 104.9 Ų | 104.9 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 177.6 | -70.4 | 170.2 | 0 | 0 | 0 | 112.2 | E417 N418 S423 W424 E425 | E417-L421 WeakPolarHBondContact O-CG 3.37Å; E417-L421 PolarHBondContact O-N 2.74Å; N418-L421 PolarHBondContact O-N 3.26Å; L421-S423 PolarHBondContact O-N 3.47Å; L421-W424 PolarHBondContact O-N 2.87Å; L421-E425 WeakPolarHBondContact O-CB 3.29Å; L421-E425 PolarHBondContact O-N 2.67Å |
| 422 | E | 98.3 | Very high | 98.1 | Very high | 146 Ų | 146 | 104.5 Ų | 104.5 | 68% | 0.682 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.5 | -44.9 | 175 | -174.7 | -176.7 | 176.4 | 0 | 0 | 111.4 | N418 W424 E425 K426 | N418-E422 WeakPolarHBondContact O-CB 3.41Å; N418-E422 PolarHBondContact O-N 2.91Å; E422-W424 VanDerWaalsContact C-N 3.3Å; E422-W424 PolarHBondContact O-N 3.41Å; E422-E425 PolarHBondContact O-N 3.26Å; E422-K426 WeakPolarHBondContact O-CB 3.42Å; E422-K426 PolarHBondContact O-N 3.25Å |
| 423 | S | 97.8 | Very high | 98.1 | Very high | 73 Ų | 73 | 104.8 Ų | 104.8 | 51% | 0.51 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.8 | -33 | 176.9 | 77 | 0 | 0 | 0 | 0 | 113.2 | A419 I420 L421 A427 | A419-S423 WeakPolarHBondContact O-CB 3.42Å; A419-S423 PolarHBondContact O-N 2.59Å; A419-S423 PolarHBondContact O-OG 3.5Å; I420-S423 PolarHBondContact O-N 3.04Å; I420-S423 PolarHBondContact O-OG 2.84Å; L421-S423 PolarHBondContact O-N 3.47Å; S423-A427 VanDerWaalsContact O-CB 3.29Å; S423-A427 WeakPolarHBondContact O-CB 3.39Å; S423-A427 PolarHBondContact O-N 2.71Å |
| 424 | W | 98.4 | Very high | 98 | Very high | 166 Ų | 166 | 103.9 Ų | 103.9 | 63% | 0.629 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -75.7 | -40.9 | 177.9 | 178.3 | 82.2 | 0 | 0 | 0 | 112.2 | I420 L421 E422 A427 K428 | I420-W424 WeakPolarHBondContact O-CB 3.48Å; I420-W424 PolarHBondContact O-N 3.42Å; L421-W424 PolarHBondContact O-N 2.87Å; E422-W424 VanDerWaalsContact C-N 3.3Å; E422-W424 PolarHBondContact O-N 3.41Å; W424-A427 PolarHBondContact O-N 3.24Å; W424-K428 HydrophobicContact CH2-CD 4.43Å; W424-K428 HydrophobicContact CZ3-CD 4.41Å; W424-K428 WeakPolarHBondContact O-CB 3.49Å; W424-K428 PolarHBondContact O-N 3.46Å |
| 425 | E | 98.2 | Very high | 98 | Very high | 95 Ų | 95 | 105.8 Ų | 105.8 | 44% | 0.444 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 173.4 | -175.4 | 124.7 | -107.1 | 0 | 0 | 110.7 | L421 E422 A427 K428 E429 | L421-E425 WeakPolarHBondContact O-CB 3.29Å; L421-E425 PolarHBondContact O-N 2.67Å; E422-E425 PolarHBondContact O-N 3.26Å; E425-A427 PolarHBondContact O-N 2.98Å; E425-K428 WeakPolarHBondContact O-CA 3.38Å; E425-K428 WeakPolarHBondContact O-CB 3.35Å; E425-K428 PolarHBondContact O-N 3.41Å; E425-K428 VanDerWaalsContact O-N 3.11Å; E425-K428 IonicContact OE1-NZ 3.45Å; E425-K428 PolarHBondContact OE1-NZ 2.75Å; E425-E429 PolarHBondContact O-N 2.94Å |
| 426 | K | 98.5 | Very high | 97.9 | Very high | 128 Ų | 128 | 104 Ų | 104 | 56% | 0.557 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.7 | -45.2 | 174.4 | -177.8 | 173.6 | 179.6 | 175.1 | 0 | 112.6 | E422 K428 E429 D430 | E422-K426 WeakPolarHBondContact O-CB 3.42Å; E422-K426 PolarHBondContact O-N 3.25Å; K426-K428 PolarHBondContact O-N 2.86Å; K426-E429 PolarHBondContact O-N 3.07Å; K426-E429 VanDerWaalsContact O-N 3.13Å; K426-D430 PolarHBondContact O-N 2.91Å |
| 427 | A | 98.2 | Very high | 97.8 | Very high | 57 Ų | 57 | 97.5 Ų | 97.5 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -31 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S423 W424 E425 A431 | S423-A427 VanDerWaalsContact O-CB 3.29Å; S423-A427 WeakPolarHBondContact O-CB 3.39Å; S423-A427 PolarHBondContact O-N 2.71Å; W424-A427 PolarHBondContact O-N 3.24Å; E425-A427 PolarHBondContact O-N 2.98Å; A427-A431 VanDerWaalsContact O-CB 3.25Å; A427-A431 WeakPolarHBondContact O-CB 3.4Å; A427-A431 PolarHBondContact O-N 3.47Å |
| 428 | K | 98.4 | Very high | 97.7 | Very high | 109 Ų | 109 | 100 Ų | 100 | 47% | 0.474 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.2 | -38.1 | 173.4 | 163 | -166.7 | 161.1 | -146.6 | 0 | 111.7 | W424 E425 K426 A432 | W424-K428 HydrophobicContact CH2-CD 4.43Å; W424-K428 HydrophobicContact CZ3-CD 4.41Å; W424-K428 WeakPolarHBondContact O-CB 3.49Å; W424-K428 PolarHBondContact O-N 3.46Å; E425-K428 WeakPolarHBondContact O-CA 3.38Å; E425-K428 WeakPolarHBondContact O-CB 3.35Å; E425-K428 PolarHBondContact O-N 3.41Å; E425-K428 VanDerWaalsContact O-N 3.11Å; E425-K428 IonicContact OE1-NZ 3.45Å; E425-K428 PolarHBondContact OE1-NZ 2.75Å; K426-K428 PolarHBondContact O-N 2.86Å; K428-A432 WeakPolarHBondContact O-CB 3.47Å; K428-A432 PolarHBondContact O-N 3.46Å |
| 429 | E | 98.1 | Very high | 97.5 | Very high | 126 Ų | 126 | 101.3 Ų | 101.3 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66 | -49 | 171.5 | -68.5 | -173.7 | 151.5 | 0 | 0 | 112.1 | E425 K426 A431 A432 L433 | E425-E429 PolarHBondContact O-N 2.94Å; K426-E429 PolarHBondContact O-N 3.07Å; K426-E429 VanDerWaalsContact O-N 3.13Å; E429-A431 VanDerWaalsContact C-N 3.28Å; E429-A431 PolarHBondContact O-N 3.05Å; E429-A432 WeakPolarHBondContact O-CB 3.2Å; E429-A432 PolarHBondContact O-N 3Å; E429-L433 WeakPolarHBondContact O-CB 3.34Å; E429-L433 PolarHBondContact O-N 3.06Å |
| 430 | D | 98.2 | Very high | 97.2 | Very high | 73 Ų | 73 | 106.8 Ų | 106.8 | 39% | 0.39 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.2 | -39.7 | 176.5 | -77.1 | -34 | 0 | 0 | 0 | 111.4 | K426 L433 M434 | K426-D430 PolarHBondContact O-N 2.91Å; D430-L433 PolarHBondContact O-N 3.29Å; D430-M434 HydrophobicContact CB-CE 4.48Å; D430-M434 WeakPolarHBondContact O-CB 3.48Å; D430-M434 WeakPolarHBondContact O-CG 3.48Å; D430-M434 PolarHBondContact O-N 2.97Å |
| 431 | A | 98 | Very high | 96.9 | Very high | 54 Ų | 54 | 108.7 Ų | 108.7 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A427 E429 K435 | A427-A431 VanDerWaalsContact O-CB 3.25Å; A427-A431 WeakPolarHBondContact O-CB 3.4Å; A427-A431 PolarHBondContact O-N 3.47Å; E429-A431 VanDerWaalsContact C-N 3.28Å; E429-A431 PolarHBondContact O-N 3.05Å; A431-K435 WeakPolarHBondContact O-CB 3.33Å; A431-K435 PolarHBondContact O-N 2.87Å |
| 432 | A | 97.9 | Very high | 96.4 | Very high | 59 Ų | 59 | 109.8 Ų | 109.8 | 49% | 0.488 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K428 E429 K435 H436 | K428-A432 WeakPolarHBondContact O-CB 3.47Å; K428-A432 PolarHBondContact O-N 3.46Å; E429-A432 WeakPolarHBondContact O-CB 3.2Å; E429-A432 PolarHBondContact O-N 3Å; A432-K435 WeakPolarHBondContact O-CB 3.49Å; A432-K435 PolarHBondContact O-N 3.23Å; A432-H436 WeakPolarHBondContact O-CB 3.46Å; A432-H436 PolarHBondContact O-N 2.95Å |
| 433 | L | 97.4 | Very high | 95.9 | Very high | 109 Ų | 109 | 105.4 Ų | 105.4 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.3 | -45.6 | 175.2 | -176.6 | 62.5 | 0 | 0 | 0 | 111.3 | E429 D430 K435 H436 A437 | E429-L433 WeakPolarHBondContact O-CB 3.34Å; E429-L433 PolarHBondContact O-N 3.06Å; D430-L433 PolarHBondContact O-N 3.29Å; L433-K435 PolarHBondContact O-N 2.93Å; L433-H436 PolarHBondContact O-N 3.39Å; L433-A437 WeakPolarHBondContact O-CB 3.12Å; L433-A437 PolarHBondContact O-N 3.28Å |
| 434 | M | 97 | Very high | 95.2 | Very high | 108 Ų | 108 | 105.4 Ų | 105.4 | 53% | 0.532 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 173.6 | -81.2 | -169.2 | -93.5 | 0 | 0 | 112.8 | D430 A437 R438 | D430-M434 HydrophobicContact CB-CE 4.48Å; D430-M434 WeakPolarHBondContact O-CB 3.48Å; D430-M434 WeakPolarHBondContact O-CG 3.48Å; D430-M434 PolarHBondContact O-N 2.97Å; M434-A437 PolarHBondContact O-N 3.46Å; M434-R438 WeakPolarHBondContact O-CG 3.48Å; M434-R438 PolarHBondContact O-N 3.09Å |
| 435 | K | 97.1 | Very high | 94.1 | Very high | 142 Ų | 142 | 102.8 Ų | 102.8 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.9 | -45.8 | 174.1 | -176.3 | -177 | 176.3 | -173.7 | 0 | 111.3 | A431 A432 L433 R438 L439 | A431-K435 WeakPolarHBondContact O-CB 3.33Å; A431-K435 PolarHBondContact O-N 2.87Å; A432-K435 WeakPolarHBondContact O-CB 3.49Å; A432-K435 PolarHBondContact O-N 3.23Å; L433-K435 PolarHBondContact O-N 2.93Å; K435-R438 PolarHBondContact O-N 3.35Å; K435-L439 HydrophobicContact CG-CD1 4.33Å; K435-L439 WeakPolarHBondContact O-CG 3.32Å; K435-L439 PolarHBondContact O-N 3.08Å |
| 436 | H | 96.6 | Very high | 92.7 | Very high | 89 Ų | 89 | 101.6 Ų | 101.6 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 177.1 | 176.5 | -133.9 | 0 | 0 | 0 | 112.2 | A432 L433 R438 L439 R440 | A432-H436 WeakPolarHBondContact O-CB 3.46Å; A432-H436 PolarHBondContact O-N 2.95Å; L433-H436 PolarHBondContact O-N 3.39Å; H436-R438 PolarHBondContact O-N 3.36Å; H436-L439 PolarHBondContact O-N 3.05Å; H436-R440 PolarHBondContact CE1-NE 3.42Å; H436-R440 PolarHBondContact CE1-NH2 2.93Å; H436-R440 PolarHBondContact NE2-NE 3.37Å; H436-R440 VanDerWaalsContact NE2-NE 3.12Å; H436-R440 PolarHBondContact O-N 2.95Å |
| 437 | A | 95.3 | Very high | 91 | Very high | 49 Ų | 49 | 101.7 Ų | 101.7 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L433 M434 K441 | L433-A437 WeakPolarHBondContact O-CB 3.12Å; L433-A437 PolarHBondContact O-N 3.28Å; M434-A437 PolarHBondContact O-N 3.46Å; A437-K441 PolarHBondContact O-N 3.01Å; A437-K441 VanDerWaalsContact O-N 3.11Å |
| 438 | R | 94.9 | Very high | 89.2 | Confident | 169 Ų | 169 | 105.1 Ų | 105.1 | 64% | 0.638 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.9 | -46.6 | 172.3 | -71.1 | 175.2 | -169.1 | -167.1 | 3.7 | 111.6 | M434 K435 H436 R440 K441 H442 | M434-R438 WeakPolarHBondContact O-CG 3.48Å; M434-R438 PolarHBondContact O-N 3.09Å; K435-R438 PolarHBondContact O-N 3.35Å; H436-R438 PolarHBondContact O-N 3.36Å; R438-R440 VanDerWaalsContact C-N 3.33Å; R438-R440 PolarHBondContact O-N 3.09Å; R438-K441 PolarHBondContact O-N 3.22Å; R438-K441 VanDerWaalsContact O-N 3.12Å; R438-H442 PolarHBondContact O-CD2 2.85Å; R438-H442 PolarHBondContact O-N 3.13Å |
| 439 | L | 94.1 | Very high | 87.3 | Confident | 104 Ų | 104 | 105.1 Ų | 105.1 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 177.4 | -72.3 | 169.7 | 0 | 0 | 0 | 112 | K435 H436 K441 H442 A443 | K435-L439 HydrophobicContact CG-CD1 4.33Å; K435-L439 WeakPolarHBondContact O-CG 3.32Å; K435-L439 PolarHBondContact O-N 3.08Å; H436-L439 PolarHBondContact O-N 3.05Å; L439-K441 PolarHBondContact O-N 3.18Å; L439-H442 PolarHBondContact O-N 3.31Å; L439-A443 WeakPolarHBondContact O-CB 3.31Å; L439-A443 PolarHBondContact O-N 3.4Å |
| 440 | R | 92.3 | Very high | 85.2 | Confident | 169 Ų | 169 | 107.3 Ų | 107.3 | 64% | 0.638 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.6 | -43.4 | 172.9 | -76.3 | -173.4 | 177.6 | -164.2 | -5.4 | 112.6 | H436 R438 H442 A443 S444 | H436-R440 PolarHBondContact CE1-NE 3.42Å; H436-R440 PolarHBondContact CE1-NH2 2.93Å; H436-R440 PolarHBondContact NE2-NE 3.37Å; H436-R440 VanDerWaalsContact NE2-NE 3.12Å; H436-R440 PolarHBondContact O-N 2.95Å; R438-R440 VanDerWaalsContact C-N 3.33Å; R438-R440 PolarHBondContact O-N 3.09Å; R440-H442 PolarHBondContact O-N 3.47Å; R440-A443 PolarHBondContact O-N 3.32Å; R440-S444 PolarHBondContact O-N 2.95Å; R440-S444 PolarHBondContact O-OG 2.95Å; R440-S444 VanDerWaalsContact O-OG 3.13Å |
| 441 | K | 91.7 | Very high | 83 | Confident | 152 Ų | 152 | 112.2 Ų | 112.2 | 66% | 0.661 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.2 | -39.4 | 176.9 | -76.4 | -170 | 174.7 | -165.9 | 0 | 113 | A437 R438 L439 S444 L445 | A437-K441 PolarHBondContact O-N 3.01Å; A437-K441 VanDerWaalsContact O-N 3.11Å; R438-K441 PolarHBondContact O-N 3.22Å; R438-K441 VanDerWaalsContact O-N 3.12Å; L439-K441 PolarHBondContact O-N 3.18Å; K441-S444 WeakPolarHBondContact CA-OG 3.35Å; K441-S444 PolarHBondContact O-OG 2.96Å; K441-L445 WeakPolarHBondContact O-CD1 3.39Å; K441-L445 WeakPolarHBondContact O-CG 3.4Å; K441-L445 PolarHBondContact O-N 3.42Å |
| 442 | H | 89.1 | Confident | 81 | Confident | 129 Ų | 129 | 117.5 Ų | 117.5 | 60% | 0.597 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.5 | -43.1 | 175.1 | -69.7 | -66.7 | 0 | 0 | 0 | 111.8 | R438 L439 R440 S444 L445 S446 | R438-H442 PolarHBondContact O-CD2 2.85Å; R438-H442 PolarHBondContact O-N 3.13Å; L439-H442 PolarHBondContact O-N 3.31Å; R440-H442 PolarHBondContact O-N 3.47Å; H442-S444 VanDerWaalsContact C-N 3.33Å; H442-S444 PolarHBondContact O-N 2.82Å; H442-L445 PolarHBondContact O-N 3.06Å; H442-L445 VanDerWaalsContact O-N 3.11Å; H442-S446 PolarHBondContact O-N 3.49Å; H442-S446 PolarHBondContact O-OG 3.08Å |
| 443 | A | 87.4 | Confident | 78.9 | Confident | 54 Ų | 54 | 119.5 Ų | 119.5 | 45% | 0.446 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.5 | -30.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L439 R440 L445 S446 N447 | L439-A443 WeakPolarHBondContact O-CB 3.31Å; L439-A443 PolarHBondContact O-N 3.4Å; R440-A443 PolarHBondContact O-N 3.32Å; A443-L445 VanDerWaalsContact C-N 3.31Å; A443-S446 WeakPolarHBondContact CA-OG 3.42Å; A443-S446 PolarHBondContact O-OG 3.26Å; A443-S446 VanDerWaalsContact O-OG 3.04Å; A443-N447 PolarHBondContact O-OD1 2.75Å |
| 444 | S | 82.4 | Confident | 76.8 | Confident | 73 Ų | 73 | 122.6 Ų | 122.6 | 51% | 0.51 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -75.9 | -17.2 | 173.1 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | R440 K441 H442 | R440-S444 PolarHBondContact O-N 2.95Å; R440-S444 PolarHBondContact O-OG 2.95Å; R440-S444 VanDerWaalsContact O-OG 3.13Å; K441-S444 WeakPolarHBondContact CA-OG 3.35Å; K441-S444 PolarHBondContact O-OG 2.96Å; H442-S444 VanDerWaalsContact C-N 3.33Å; H442-S444 PolarHBondContact O-N 2.82Å |
| 445 | L | 76 | Confident | 74.6 | Confident | 110 Ų | 110 | 123.4 Ų | 123.4 | 58% | 0.576 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -89.9 | -37.4 | 175.8 | -73.5 | 166.8 | 0 | 0 | 0 | 111.5 | K441 H442 A443 N447 N448 | K441-L445 WeakPolarHBondContact O-CD1 3.39Å; K441-L445 WeakPolarHBondContact O-CG 3.4Å; K441-L445 PolarHBondContact O-N 3.42Å; H442-L445 PolarHBondContact O-N 3.06Å; H442-L445 VanDerWaalsContact O-N 3.11Å; A443-L445 VanDerWaalsContact C-N 3.31Å; L445-N447 PolarHBondContact O-N 3.45Å; L445-N448 PolarHBondContact O-N 2.9Å |
| 446 | S | 68.8 | Low | 72.4 | Confident | 71 Ų | 71 | 121.2 Ų | 121.2 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62 | -25 | 178.7 | 53 | 0 | 0 | 0 | 0 | 114.2 | H442 A443 N448 | H442-S446 PolarHBondContact O-N 3.49Å; H442-S446 PolarHBondContact O-OG 3.08Å; A443-S446 WeakPolarHBondContact CA-OG 3.42Å; A443-S446 PolarHBondContact O-OG 3.26Å; A443-S446 VanDerWaalsContact O-OG 3.04Å; S446-N448 VanDerWaalsContact C-N 3.32Å; S446-N448 PolarHBondContact O-N 3.48Å |
| 447 | N | 62 | Low | 70.1 | Confident | 129 Ų | 129 | 120.1 Ų | 120.1 | 69% | 0.69 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 1.1 | -174 | -71 | 28.8 | 0 | 0 | 0 | 114.3 | A443 L445 | A443-N447 PolarHBondContact O-OD1 2.75Å; L445-N447 PolarHBondContact O-N 3.45Å |
| 448 | N | 61.1 | Low | 68 | Low | 130 Ų | 130 | 126.1 Ų | 126.1 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 0.7 | 179.8 | -68.7 | -5.1 | 0 | 0 | 0 | 113.2 | L445 S446 | L445-N448 PolarHBondContact O-N 2.9Å; S446-N448 VanDerWaalsContact C-N 3.32Å; S446-N448 PolarHBondContact O-N 3.48Å |
| 449 | E | 57.2 | Low | 66 | Low | 108 Ų | 108 | 126.2 Ų | 126.2 | 51% | 0.505 | 69% | 0.686 | S | S | . | * | trans | -125.5 | 30.6 | -163.9 | -58.2 | -79.1 | 151.2 | 0 | 0 | 112.4 | E451 F452 | E449-E451 PolarHBondContact O-N 3.37Å; E449-F452 HydrophobicContact CB-CD2 3.96Å; E449-F452 HydrophobicContact CB-CE2 4.02Å; E449-F452 HydrophobicContact CG-CE2 4.49Å; E449-F452 WeakPolarHBondContact O-CD2 3.42Å; E449-F452 PolarHBondContact O-N 3.11Å; E449-F452 WeakPolarHBondContact OE2-CE2 3.49Å | ||
| 450 | D | 55.8 | Low | 63.8 | Low | 172 Ų | 172 | 124.3 Ų | 124.3 | 92% | 0.92 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 23.2 | 173.7 | -96.8 | -24.1 | 0 | 0 | 0 | 113.3 | ||
| 451 | E | 51.9 | Low | 61.8 | Low | 176 Ų | 176 | 124.4 Ų | 124.4 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | 30.5 | 166.3 | -152.4 | -178.7 | 170.5 | 0 | 0 | 111.8 | E449 V453 | E449-E451 PolarHBondContact O-N 3.37Å; E451-V453 VanDerWaalsContact C-N 3.28Å; E451-V453 PolarHBondContact O-N 2.94Å |
| 452 | F | 55.1 | Low | 59.7 | Low | 165 Ų | 165 | 124.9 Ų | 124.9 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | trans | -69.9 | 86.1 | 170.2 | -103.9 | -77.3 | 0 | 0 | 0 | 111.9 | E449 L454 | E449-F452 HydrophobicContact CB-CD2 3.96Å; E449-F452 HydrophobicContact CB-CE2 4.02Å; E449-F452 HydrophobicContact CG-CE2 4.49Å; E449-F452 WeakPolarHBondContact O-CD2 3.42Å; E449-F452 PolarHBondContact O-N 3.11Å; E449-F452 WeakPolarHBondContact OE2-CE2 3.49Å; F452-L454 PolarHBondContact O-N 3.15Å | ||
| 453 | V | 54.6 | Low | 57.8 | Low | 101 Ų | 101 | 123.1 Ų | 123.1 | 61% | 0.612 | 71% | 0.714 | S | S | * | * | trans | -49.2 | 115.5 | 173 | 170 | 0 | 0 | 0 | 0 | 111.2 | E451 V455 | E451-V453 VanDerWaalsContact C-N 3.28Å; E451-V453 PolarHBondContact O-N 2.94Å; V453-V455 HydrophobicContact CG1-CB 4.07Å; V453-V455 HydrophobicContact CG1-CG2 3.5Å; V453-V455 PolarHBondContact O-N 3.27Å | ||
| 454 | L | 52.9 | Low | 56 | Low | 175 Ų | 175 | 129 Ų | 129 | 92% | 0.916 | 73% | 0.732 | S | S | * | * | trans | -73.9 | 60.5 | 175.1 | -93.3 | 165 | 0 | 0 | 0 | 112.4 | F452 | F452-L454 PolarHBondContact O-N 3.15Š| ||
| 455 | V | 51.3 | Low | 54.3 | Low | 124 Ų | 124 | 133.2 Ų | 133.2 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | trans | -94.9 | 95.2 | 168.7 | 168.5 | 0 | 0 | 0 | 0 | 109.1 | V453 G457 | V453-V455 HydrophobicContact CG1-CB 4.07Å; V453-V455 HydrophobicContact CG1-CG2 3.5Å; V453-V455 PolarHBondContact O-N 3.27Å; V455-G457 PolarHBondContact O-N 2.9Å | ||
| 456 | A | 50.8 | Low | 52.9 | Low | 97 Ų | 97 | 133 Ų | 133 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -81 | 113.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 457 | G | 47.7 | Very low | 51.7 | Low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | trans | 81.8 | 123.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | V455 | V455-G457 PolarHBondContact O-N 2.9Š| ||
| 458 | L | 51.4 | Low | 51.2 | Low | 176 Ų | 176 | 134.7 Ų | 134.7 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | -151.8 | 160.7 | 122.3 | -135.6 | 74.3 | 0 | 0 | 0 | 110.4 | |||||
| 459 | N | 51.8 | Low | 50.4 | Low | 170 Ų | 170 | 134.7 Ų | 134.7 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -98.4 | 143.6 | 178.4 | -64.2 | -58.7 | 0 | 0 | 0 | 111.4 | ||||
| 460 | G | 48.5 | Very low | 49.9 | Very low | 64 Ų | 64 | 134.2 Ų | 134.2 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | trans | 154.9 | 107.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 461 | L | 49.9 | Very low | 49.5 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | 71.6 | 145.4 | 68.6 | -73.4 | 170.2 | 0 | 0 | 0 | 113.9 | |||||
| 462 | I | 48.5 | Very low | 49.1 | Very low | 162 Ų | 162 | 129 Ų | 129 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | 78.6 | 98.3 | -175.5 | -49 | 163.8 | 0 | 0 | 0 | 110.9 | ||||
| 463 | S | 48.5 | Very low | 49 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | 70.8 | 90.5 | 66.8 | -146.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 464 | E | 49.3 | Very low | 48.4 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | 96.3 | 157 | 93.2 | -85.8 | -173.4 | 166 | 0 | 0 | 112.9 | |||||
| 465 | D | 48.1 | Very low | 48 | Very low | 162 Ų | 162 | 129.1 Ų | 129.1 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | 51.3 | 94.6 | 176.1 | -71.4 | -14.9 | 0 | 0 | 0 | 120.2 | ||||
| 466 | A | 46.5 | Very low | 47.6 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 88% | 0.884 | 82% | 0.82 | S | S | * | * | -168.3 | 134 | 121.1 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 467 | C | 42.5 | Very low | 47.5 | Very low | 123 Ų | 123 | 130 Ų | 130 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | trans | -126.2 | 157.9 | 153.6 | -116.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 468 | P | 51.8 | Low | 47.4 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | cis | -149.3 | 171.4 | 46.6 | 41.6 | -21.6 | 0 | 0 | 0 | 118.3 | ||||
| 469 | T | 44.2 | Very low | 47.3 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 80% | 0.798 | 83% | 0.826 | S | S | * | * | trans | 22.6 | 113.5 | 140.8 | -46.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 470 | A | 46.8 | Very low | 47.1 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -145.5 | 154.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 471 | N | 46.5 | Very low | 47.4 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -83.2 | 150.8 | -175.7 | -56.8 | -51.7 | 0 | 0 | 0 | 112.3 | ||||
| 472 | G | 45 | Very low | 47.5 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -161.5 | 80.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 473 | M | 51.5 | Low | 47.6 | Very low | 194 Ų | 194 | 129.2 Ų | 129.2 | 96% | 0.956 | 80% | 0.801 | S | S | * | * | trans | 68.5 | 144.7 | 149.5 | -45.8 | -163.8 | 81.4 | 0 | 0 | 120.5 | ||||
| 474 | S | 43.4 | Very low | 47.6 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -97.3 | 163.6 | -174.5 | -41.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 475 | S | 44.8 | Very low | 47.6 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -158 | 156.2 | 137.8 | -86.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 476 | S | 43 | Very low | 47.5 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -131.6 | 149.5 | -164 | 55.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 477 | S | 47.4 | Very low | 47.5 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -145.6 | 157.7 | 146.7 | 69.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 478 | A | 47 | Very low | 47.7 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -147.1 | 151.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 479 | F | 49.3 | Very low | 47.4 | Very low | 215 Ų | 215 | 129.1 Ų | 129.1 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | -134.1 | 146.6 | 159.7 | -76.8 | -78.3 | 0 | 0 | 0 | 108.4 | ||||
| 480 | S | 46.8 | Very low | 47.5 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | -132.1 | -178.8 | -165 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 481 | D | 54.3 | Low | 47.4 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 69% | 0.69 | 80% | 0.798 | S | S | * | * | trans | 98.4 | 135.8 | 159.2 | -60.4 | 11.3 | 0 | 0 | 0 | 116 | ||||
| 482 | N | 53.1 | Low | 47.3 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | cis | -161.7 | 155.3 | -14.2 | -117.2 | -38.2 | 0 | 0 | 0 | 111.3 | ||||
| 483 | N | 49.2 | Very low | 47.2 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | 63.7 | 150.5 | 156.9 | -63.7 | -24.4 | 0 | 0 | 0 | 119.2 | ||||
| 484 | S | 48.4 | Very low | 46.9 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | cis | -158.1 | 150.1 | -8.2 | 44.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 485 | E | 49.7 | Very low | 46.9 | Very low | 192 Ų | 192 | 138.3 Ų | 138.3 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | 50.6 | 123.1 | 148.5 | -62.2 | 178.9 | 146.5 | 0 | 0 | 121.2 | ||||
| 486 | G | 46.2 | Very low | 47.2 | Very low | 82 Ų | 82 | 138.5 Ų | 138.5 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -177.1 | 45.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 487 | S | 46.7 | Very low | 47.8 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | -44.8 | 132.8 | -167.8 | -53.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 488 | H | 47.1 | Very low | 47.7 | Very low | 184 Ų | 184 | 137.9 Ų | 137.9 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | 59.8 | 140.5 | 151.3 | -46.7 | -45.7 | 0 | 0 | 0 | 118.6 | ||||
| 489 | S | 44.9 | Very low | 47.6 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | cis | -137.9 | 163.4 | 30.1 | -166.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 490 | R | 46.9 | Very low | 47.5 | Very low | 233 Ų | 233 | 143.4 Ų | 143.4 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -148.2 | 171.2 | -174.8 | -171.8 | 179.6 | 177.2 | -163.1 | -0.1 | 108.4 | ||||
| 491 | S | 45.4 | Very low | 47.7 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | 82.6 | 138.9 | 170.1 | -174.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 492 | D | 43.3 | Very low | 47.7 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 57% | 0.572 | 79% | 0.785 | S | S | * | * | cis | -163.4 | 176.4 | -20.2 | -96.2 | -38.8 | 0 | 0 | 0 | 111 | ||||
| 493 | Y | 43.7 | Very low | 47.9 | Very low | 224 Ų | 224 | 140.9 Ų | 140.9 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | 74.8 | 128.2 | 160 | -53.6 | -62.2 | 0 | 0 | 0 | 119.7 | ||||
| 494 | G | 43.7 | Very low | 48.6 | Very low | 73 Ų | 73 | 142.8 Ų | 142.8 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -168.3 | 2.2 | 179 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 495 | R | 45 | Very low | 49.5 | Very low | 241 Ų | 241 | 147 Ų | 147 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | 27.2 | 99.6 | 166 | -173.7 | -168.7 | -100.6 | -154.1 | -3.5 | 117.7 | ||||
| 496 | V | 51.2 | Low | 50.3 | Low | 135 Ų | 135 | 143.5 Ų | 143.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 132.8 | 158.9 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 497 | P | 54.1 | Low | 51.3 | Low | 117 Ų | 117 | 147.5 Ų | 147.5 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 155.6 | 179.9 | -24.1 | 35.3 | 0 | 0 | 0 | 115.1 | ||
| 498 | S | 46.7 | Very low | 52.3 | Low | 108 Ų | 108 | 151.8 Ų | 151.8 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 165.8 | -175.8 | -42 | 0 | 0 | 0 | 0 | 113.8 | ||
| 499 | R | 43.3 | Very low | 53.3 | Low | 245 Ų | 245 | 148.8 Ų | 148.8 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | 63.7 | 89.2 | 162.5 | -58.6 | -179 | -177.6 | -170.6 | -0.1 | 116.5 | ||||
| 500 | I | 48.3 | Very low | 54.3 | Low | 175 Ų | 175 | 149.9 Ų | 149.9 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -93.7 | 130.1 | 132.8 | -61 | 176.8 | 0 | 0 | 0 | 105.6 | ||||
| 501 | A | 51 | Low | 55.1 | Low | 87 Ų | 87 | 143.1 Ų | 143.1 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | trans | -75.5 | 144.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D503 | A501-D503 PolarHBondContact O-N 3.31Š| ||
| 502 | A | 54.8 | Low | 56 | Low | 95 Ų | 95 | 146.9 Ų | 146.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -74.7 | 91.3 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | E504 | A502-E504 PolarHBondContact O-N 3.32Š| ||
| 503 | D | 56.6 | Low | 57.5 | Low | 108 Ų | 108 | 144 Ų | 144 | 58% | 0.578 | 77% | 0.771 | S | S | * | * | trans | -79.4 | 90.5 | 172.7 | -167.9 | 17.1 | 0 | 0 | 0 | 107.9 | A501 R505 | A501-D503 PolarHBondContact O-N 3.31Å; D503-R505 PolarHBondContact O-N 2.92Å; D503-R505 WeakPolarHBondContact OD1-CG 3.38Å; D503-R505 IonicContact OD1-CZ 2.59Å; D503-R505 IonicContact OD1-NE 3.28Å; D503-R505 PolarHBondContact OD1-NE 3.5Å; D503-R505 IonicContact OD1-NH2 2.77Å; D503-R505 PolarHBondContact OD1-NH2 3.18Å; D503-R505 WeakPolarHBondContact OD2-CD 3.46Å; D503-R505 IonicContact OD2-CZ 2.67Å; D503-R505 IonicContact OD2-NE 3.16Å; D503-R505 PolarHBondContact OD2-NE 3.02Å; D503-R505 IonicContact OD2-NH2 2.75Å; D503-R505 PolarHBondContact OD2-NH2 3.34Å | ||
| 504 | E | 64.4 | Low | 59.3 | Low | 186 Ų | 186 | 135.3 Ų | 135.3 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | -70.1 | 47.5 | -175.4 | -65.1 | -163.3 | 134.1 | 0 | 0 | 113.7 | A502 | A502-E504 PolarHBondContact O-N 3.32Š| ||
| 505 | R | 66 | Low | 61.3 | Low | 183 Ų | 183 | 136.2 Ų | 136.2 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | trans | -76.3 | 128.7 | 175 | -63.1 | -175.2 | -166.3 | -153.1 | 4.3 | 109.2 | D503 I507 | D503-R505 PolarHBondContact O-N 2.92Å; D503-R505 WeakPolarHBondContact OD1-CG 3.38Å; D503-R505 IonicContact OD1-CZ 2.59Å; D503-R505 IonicContact OD1-NE 3.28Å; D503-R505 PolarHBondContact OD1-NE 3.5Å; D503-R505 IonicContact OD1-NH2 2.77Å; D503-R505 PolarHBondContact OD1-NH2 3.18Å; D503-R505 WeakPolarHBondContact OD2-CD 3.46Å; D503-R505 IonicContact OD2-CZ 2.67Å; D503-R505 IonicContact OD2-NE 3.16Å; D503-R505 PolarHBondContact OD2-NE 3.02Å; D503-R505 IonicContact OD2-NH2 2.75Å; D503-R505 PolarHBondContact OD2-NH2 3.34Å; R505-I507 PolarHBondContact O-N 2.94Å | ||
| 506 | P | 66.3 | Low | 63.3 | Low | 120 Ų | 120 | 132.2 Ų | 132.2 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | trans | -59.2 | 128.3 | 178.2 | 23.6 | -33.1 | 0 | 0 | 0 | 109.8 | K508 | P506-K508 PolarHBondContact O-N 2.99Š| ||
| 507 | I | 68.3 | Low | 65.1 | Low | 165 Ų | 165 | 130 Ų | 130 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -57.8 | 110.4 | 178.5 | -59.2 | 174 | 0 | 0 | 0 | 107.6 | R505 | R505-I507 PolarHBondContact O-N 2.94Š| ||
| 508 | K | 67.6 | Low | 66.8 | Low | 186 Ų | 186 | 128.8 Ų | 128.8 | 81% | 0.809 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 131.2 | 173.5 | -72.8 | -177.7 | 178.1 | 177.7 | 0 | 108 | P506 L510 | P506-K508 PolarHBondContact O-N 2.99Å; K508-L510 PolarHBondContact O-N 3.32Å |
| 509 | P | 67.9 | Low | 68.8 | Low | 122 Ų | 122 | 131.8 Ų | 131.8 | 79% | 0.792 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -57 | 137 | 175.2 | 24.8 | -33.5 | 0 | 0 | 0 | 108.9 | S511 | P509-S511 PolarHBondContact O-N 3.07Š|
| 510 | L | 65.3 | Low | 71.2 | Confident | 144 Ų | 144 | 125 Ų | 125 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 134.1 | 171.7 | -70.5 | 168.6 | 0 | 0 | 0 | 108.4 | K508 | K508-L510 PolarHBondContact O-N 3.32Š|
| 511 | S | 63.7 | Low | 73.3 | Confident | 90 Ų | 90 | 120.8 Ų | 120.8 | 63% | 0.629 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 153.6 | 176.4 | 43.5 | 0 | 0 | 0 | 0 | 111.1 | P509 S513 | P509-S511 PolarHBondContact O-N 3.07Å; S511-S513 PolarHBondContact O-N 3.43Å; S511-S513 PolarHBondContact O-OG 3Å; S511-S513 PolarHBondContact OG-OG 3.21Å |
| 512 | N | 64.4 | Low | 75.3 | Confident | 174 Ų | 174 | 122 Ų | 122 | 93% | 0.93 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -65.9 | 19 | -176.5 | -63.4 | -1.2 | 0 | 0 | 0 | 115.4 | S514 | N512-S514 PolarHBondContact O-N 2.75Š|
| 513 | S | 75.7 | Confident | 77.1 | Confident | 45 Ų | 45 | 120.2 Ų | 120.2 | 32% | 0.315 | 62% | 0.621 | S | S | . | * | trans | -57 | 127.6 | 163.9 | 44.2 | 0 | 0 | 0 | 0 | 110 | S511 D517 | S511-S513 PolarHBondContact O-N 3.43Å; S511-S513 PolarHBondContact O-OG 3Å; S511-S513 PolarHBondContact OG-OG 3.21Å; S513-D517 WeakPolarHBondContact CA-OD2 3.26Å | ||
| 514 | S | 81.9 | Confident | 78.7 | Confident | 43 Ų | 43 | 118.2 Ų | 118.2 | 30% | 0.301 | 62% | 0.615 | S | S | . | * | trans | -57.6 | 151.1 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | N512 F516 D517 M518 | N512-S514 PolarHBondContact O-N 2.75Å; S514-F516 PolarHBondContact O-N 2.89Å; S514-F516 VanDerWaalsContact O-N 3.07Å; S514-F516 PolarHBondContact OG-N 3.24Å; S514-D517 WeakPolarHBondContact CB-OD2 3Å; S514-D517 PolarHBondContact N-OD2 2.87Å; S514-D517 PolarHBondContact O-N 3.41Å; S514-M518 PolarHBondContact O-N 2.87Å | ||
| 515 | P | 85.2 | Confident | 80.1 | Confident | 92 Ų | 92 | 115.3 Ų | 115.3 | 60% | 0.597 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -54 | -24.2 | 166.9 | -26.6 | 35.9 | 0 | 0 | 0 | 113.6 | ||
| 516 | F | 86.3 | Confident | 81.1 | Confident | 157 Ų | 157 | 113.4 Ų | 113.4 | 69% | 0.689 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -74.2 | -44.1 | 172.1 | -70.3 | -81.3 | 0 | 0 | 0 | 112.6 | S514 M518 W519 D520 | S514-F516 PolarHBondContact O-N 2.89Å; S514-F516 VanDerWaalsContact O-N 3.07Å; S514-F516 PolarHBondContact OG-N 3.24Å; F516-M518 VanDerWaalsContact C-N 3.29Å; F516-M518 PolarHBondContact O-N 3.22Å; F516-W519 WeakPolarHBondContact O-CA 3.39Å; F516-W519 WeakPolarHBondContact O-CB 3.46Å; F516-W519 PolarHBondContact O-N 3.43Å; F516-D520 PolarHBondContact O-N 3.33Å |
| 517 | D | 90.2 | Very high | 82.1 | Confident | 87 Ų | 87 | 115.8 Ų | 115.8 | 47% | 0.465 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.8 | -42.9 | 178.5 | -49.6 | -19.6 | 0 | 0 | 0 | 110.5 | S513 S514 W519 D520 D521 | S513-D517 WeakPolarHBondContact CA-OD2 3.26Å; S514-D517 WeakPolarHBondContact CB-OD2 3Å; S514-D517 PolarHBondContact N-OD2 2.87Å; S514-D517 PolarHBondContact O-N 3.41Å; D517-W519 PolarHBondContact O-N 2.88Å; D517-D520 PolarHBondContact O-N 3.36Å; D517-D521 VanDerWaalsContact O-CB 3.31Å; D517-D521 WeakPolarHBondContact O-CB 3.43Å; D517-D521 PolarHBondContact O-N 3.06Å |
| 518 | M | 89.3 | Confident | 83.1 | Confident | 92 Ų | 92 | 111.5 Ų | 111.5 | 45% | 0.453 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.6 | -31.3 | 174.8 | -67.5 | -167.5 | -70 | 0 | 0 | 113 | S514 F516 L522 | S514-M518 PolarHBondContact O-N 2.87Å; F516-M518 VanDerWaalsContact C-N 3.29Å; F516-M518 PolarHBondContact O-N 3.22Å; M518-L522 WeakPolarHBondContact O-CB 3.28Å; M518-L522 PolarHBondContact O-N 2.95Å; M518-L522 VanDerWaalsContact O-N 3.15Å |
| 519 | W | 88.7 | Confident | 83.9 | Confident | 171 Ų | 171 | 105.2 Ų | 105.2 | 65% | 0.648 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -75.9 | -42.7 | 176.2 | -102.8 | 92.6 | 0 | 0 | 0 | 112.3 | F516 D517 D521 L522 I523 | F516-W519 WeakPolarHBondContact O-CA 3.39Å; F516-W519 WeakPolarHBondContact O-CB 3.46Å; F516-W519 PolarHBondContact O-N 3.43Å; D517-W519 PolarHBondContact O-N 2.88Å; W519-D521 VanDerWaalsContact C-N 3.31Å; W519-L522 WeakPolarHBondContact O-CB 3.4Å; W519-L522 PolarHBondContact O-N 2.77Å; W519-I523 HydrophobicContact CE3-CD1 4.11Å; W519-I523 HydrophobicContact CE3-CG1 4.42Å; W519-I523 WeakPolarHBondContact O-CB 3.47Å; W519-I523 WeakPolarHBondContact O-CG1 3.41Å; W519-I523 PolarHBondContact O-N 3.28Å |
| 520 | D | 93.4 | Very high | 84.6 | Confident | 102 Ų | 102 | 103.3 Ų | 103.3 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.7 | -32.7 | 175.7 | -82.8 | -36.3 | 0 | 0 | 0 | 111.8 | F516 D517 I523 S524 | F516-D520 PolarHBondContact O-N 3.33Å; D517-D520 PolarHBondContact O-N 3.36Å; D520-I523 PolarHBondContact O-N 2.94Å; D520-S524 WeakPolarHBondContact O-CB 3.49Å; D520-S524 PolarHBondContact O-N 3.07Å; D520-S524 PolarHBondContact O-OG 3.13Å |
| 521 | D | 92.7 | Very high | 85.3 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 47% | 0.465 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 172.5 | -150.4 | 53.6 | 0 | 0 | 0 | 111.6 | D517 W519 S524 K525 | D517-D521 VanDerWaalsContact O-CB 3.31Å; D517-D521 WeakPolarHBondContact O-CB 3.43Å; D517-D521 PolarHBondContact O-N 3.06Å; W519-D521 VanDerWaalsContact C-N 3.31Å; D521-S524 PolarHBondContact O-N 2.94Å; D521-K525 WeakPolarHBondContact O-CB 3.37Å; D521-K525 WeakPolarHBondContact O-CG 3.32Å; D521-K525 PolarHBondContact O-N 3.39Å; D521-K525 IonicContact OD2-NZ 2.76Å; D521-K525 PolarHBondContact OD2-NZ 3.21Å |
| 522 | L | 93.4 | Very high | 86 | Confident | 114 Ų | 114 | 99.1 Ų | 99.1 | 60% | 0.597 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -45.2 | 173.7 | -156.8 | 83.7 | 0 | 0 | 0 | 111.7 | M518 W519 S524 K525 Q526 | M518-L522 WeakPolarHBondContact O-CB 3.28Å; M518-L522 PolarHBondContact O-N 2.95Å; M518-L522 VanDerWaalsContact O-N 3.15Å; W519-L522 WeakPolarHBondContact O-CB 3.4Å; W519-L522 PolarHBondContact O-N 2.77Å; L522-S524 VanDerWaalsContact C-N 3.32Å; L522-S524 PolarHBondContact O-N 3.08Å; L522-K525 PolarHBondContact O-N 3.15Å; L522-Q526 WeakPolarHBondContact O-CB 3.47Å; L522-Q526 PolarHBondContact O-N 2.83Å |
| 523 | I | 90.7 | Very high | 86.3 | Confident | 56 Ų | 56 | 96.4 Ų | 96.4 | 29% | 0.287 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 175.5 | -72.5 | 167.1 | 0 | 0 | 0 | 110.7 | W519 D520 Q526 R527 | W519-I523 HydrophobicContact CE3-CD1 4.11Å; W519-I523 HydrophobicContact CE3-CG1 4.42Å; W519-I523 WeakPolarHBondContact O-CB 3.47Å; W519-I523 WeakPolarHBondContact O-CG1 3.41Å; W519-I523 PolarHBondContact O-N 3.28Å; D520-I523 PolarHBondContact O-N 2.94Å; I523-Q526 PolarHBondContact O-N 3.5Å; I523-R527 VanDerWaalsContact O-CG 3.3Å; I523-R527 WeakPolarHBondContact O-CG 3.27Å; I523-R527 PolarHBondContact O-N 3.5Å |
| 524 | S | 91.7 | Very high | 85.8 | Confident | 66 Ų | 66 | 101 Ų | 101 | 46% | 0.462 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 178.9 | -63.1 | 0 | 0 | 0 | 0 | 112 | D520 D521 L522 R527 S528 | D520-S524 WeakPolarHBondContact O-CB 3.49Å; D520-S524 PolarHBondContact O-N 3.07Å; D520-S524 PolarHBondContact O-OG 3.13Å; D521-S524 PolarHBondContact O-N 2.94Å; L522-S524 VanDerWaalsContact C-N 3.32Å; L522-S524 PolarHBondContact O-N 3.08Å; S524-R527 PolarHBondContact O-N 3.23Å; S524-S528 PolarHBondContact O-N 2.77Å; S524-S528 PolarHBondContact O-OG 3.33Å |
| 525 | K | 93.2 | Very high | 84.8 | Confident | 126 Ų | 126 | 106.1 Ų | 106.1 | 55% | 0.548 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.9 | -39.6 | 170.4 | -79.5 | 165.3 | 177 | 140.2 | 0 | 112.5 | D521 L522 R527 S528 A529 | D521-K525 WeakPolarHBondContact O-CB 3.37Å; D521-K525 WeakPolarHBondContact O-CG 3.32Å; D521-K525 PolarHBondContact O-N 3.39Å; D521-K525 IonicContact OD2-NZ 2.76Å; D521-K525 PolarHBondContact OD2-NZ 3.21Å; L522-K525 PolarHBondContact O-N 3.15Å; K525-R527 VanDerWaalsContact C-N 3.35Å; K525-S528 PolarHBondContact O-N 2.69Å; K525-S528 PolarHBondContact O-OG 2.89Å; K525-S528 VanDerWaalsContact O-OG 3.11Å; K525-A529 WeakPolarHBondContact O-CB 3.42Å; K525-A529 PolarHBondContact O-N 3.08Å; K525-A529 VanDerWaalsContact O-N 3.09Å |
| 526 | Q | 87.3 | Confident | 83.4 | Confident | 143 Ų | 143 | 106.7 Ų | 106.7 | 67% | 0.668 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68 | -34.9 | 177.6 | -162.8 | 176.3 | 62.5 | 0 | 0 | 112.1 | L522 I523 V530 | L522-Q526 WeakPolarHBondContact O-CB 3.47Å; L522-Q526 PolarHBondContact O-N 2.83Å; I523-Q526 PolarHBondContact O-N 3.5Å; Q526-V530 WeakPolarHBondContact O-CG2 3.33Å; Q526-V530 PolarHBondContact O-N 3.25Å |
| 527 | R | 87 | Confident | 81.8 | Confident | 169 Ų | 169 | 108.7 Ų | 108.7 | 64% | 0.638 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.1 | -50.3 | 172.6 | -71.7 | 166.4 | -175.4 | -96.9 | 4 | 112 | I523 S524 K525 A529 V530 D531 | I523-R527 VanDerWaalsContact O-CG 3.3Å; I523-R527 WeakPolarHBondContact O-CG 3.27Å; I523-R527 PolarHBondContact O-N 3.5Å; S524-R527 PolarHBondContact O-N 3.23Å; K525-R527 VanDerWaalsContact C-N 3.35Å; R527-A529 VanDerWaalsContact C-N 3.3Å; R527-A529 PolarHBondContact O-N 3.41Å; R527-V530 PolarHBondContact O-N 2.83Å; R527-V530 VanDerWaalsContact O-N 3.09Å; R527-D531 PolarHBondContact O-N 2.96Å |
| 528 | S | 89.1 | Confident | 80 | Confident | 75 Ų | 75 | 113.1 Ų | 113.1 | 52% | 0.524 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.1 | -35.6 | -178.1 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | S524 K525 V530 D531 A532 | S524-S528 PolarHBondContact O-N 2.77Å; S524-S528 PolarHBondContact O-OG 3.33Å; K525-S528 PolarHBondContact O-N 2.69Å; K525-S528 PolarHBondContact O-OG 2.89Å; K525-S528 VanDerWaalsContact O-OG 3.11Å; S528-V530 PolarHBondContact O-N 2.86Å; S528-D531 PolarHBondContact O-N 3.17Å; S528-A532 WeakPolarHBondContact O-CB 3.44Å; S528-A532 PolarHBondContact O-N 2.72Å |
| 529 | A | 85.9 | Confident | 78.1 | Confident | 55 Ų | 55 | 115.5 Ų | 115.5 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.8 | -40.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K525 R527 D531 V533 | K525-A529 WeakPolarHBondContact O-CB 3.42Å; K525-A529 PolarHBondContact O-N 3.08Å; K525-A529 VanDerWaalsContact O-N 3.09Å; R527-A529 VanDerWaalsContact C-N 3.3Å; R527-A529 PolarHBondContact O-N 3.41Å; A529-D531 VanDerWaalsContact C-N 3.35Å; A529-D531 PolarHBondContact O-N 3.41Å; A529-V533 WeakPolarHBondContact O-CG2 3.39Å; A529-V533 PolarHBondContact O-N 2.84Å |
| 530 | V | 81.8 | Confident | 75.9 | Confident | 81 Ų | 81 | 112.8 Ų | 112.8 | 49% | 0.491 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.3 | -33.4 | 179 | 166.6 | 0 | 0 | 0 | 0 | 112.4 | Q526 R527 S528 | Q526-V530 WeakPolarHBondContact O-CG2 3.33Å; Q526-V530 PolarHBondContact O-N 3.25Å; R527-V530 PolarHBondContact O-N 2.83Å; R527-V530 VanDerWaalsContact O-N 3.09Å; S528-V530 PolarHBondContact O-N 2.86Å |
| 531 | D | 79.8 | Confident | 73.3 | Confident | 86 Ų | 86 | 114.8 Ų | 114.8 | 46% | 0.46 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -84.3 | -33 | 177.9 | -69.3 | -34 | 0 | 0 | 0 | 112.8 | R527 S528 A529 V533 K534 | R527-D531 PolarHBondContact O-N 2.96Å; S528-D531 PolarHBondContact O-N 3.17Å; A529-D531 VanDerWaalsContact C-N 3.35Å; A529-D531 PolarHBondContact O-N 3.41Å; D531-V533 VanDerWaalsContact C-N 3.31Å; D531-V533 PolarHBondContact O-N 3.35Å; D531-K534 PolarHBondContact O-N 3.35Å; D531-K534 VanDerWaalsContact O-N 3.11Å; D531-K534 IonicContact OD1-NZ 2.69Å; D531-K534 PolarHBondContact OD1-NZ 3.12Å |
| 532 | A | 77.9 | Confident | 70.9 | Confident | 61 Ų | 61 | 117.6 Ų | 117.6 | 50% | 0.504 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -58.1 | -41.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S528 K534 L535 | S528-A532 WeakPolarHBondContact O-CB 3.44Å; S528-A532 PolarHBondContact O-N 2.72Å; A532-K534 PolarHBondContact O-N 2.76Å; A532-L535 PolarHBondContact O-N 2.89Å |
| 533 | V | 72.1 | Confident | 68.5 | Low | 116 Ų | 116 | 117.3 Ų | 117.3 | 70% | 0.703 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.2 | -17.4 | 178.4 | 170.6 | 0 | 0 | 0 | 0 | 113.3 | A529 D531 | A529-V533 WeakPolarHBondContact O-CG2 3.39Å; A529-V533 PolarHBondContact O-N 2.84Å; D531-V533 VanDerWaalsContact C-N 3.31Å; D531-V533 PolarHBondContact O-N 3.35Å |
| 534 | K | 64.4 | Low | 66.2 | Low | 142 Ų | 142 | 117.8 Ų | 117.8 | 62% | 0.617 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -85.2 | -20.3 | 177.5 | -67.9 | 171.7 | -166.2 | 154.8 | 0 | 114.2 | D531 A532 | D531-K534 PolarHBondContact O-N 3.35Å; D531-K534 VanDerWaalsContact O-N 3.11Å; D531-K534 IonicContact OD1-NZ 2.69Å; D531-K534 PolarHBondContact OD1-NZ 3.12Å; A532-K534 PolarHBondContact O-N 2.76Å |
| 535 | L | 61.3 | Low | 63.9 | Low | 150 Ų | 150 | 123.8 Ų | 123.8 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -87.6 | -21.2 | -171.5 | -79.3 | 162 | 0 | 0 | 0 | 114.1 | A532 K537 | A532-L535 PolarHBondContact O-N 2.89Å; L535-K537 VanDerWaalsContact C-N 3.33Å; L535-K537 PolarHBondContact O-N 3.35Å |
| 536 | S | 54.7 | Low | 61.7 | Low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -85.5 | 20.6 | -167 | 58.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 537 | K | 53.9 | Low | 59.6 | Low | 198 Ų | 198 | 126 Ų | 126 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -134.9 | 34.2 | -169.3 | -149.5 | 165.3 | -170.9 | 163.7 | 0 | 116.7 | L535 | L535-K537 VanDerWaalsContact C-N 3.33Å; L535-K537 PolarHBondContact O-N 3.35Å |
| 538 | K | 51.4 | Low | 57.7 | Low | 181 Ų | 181 | 125.6 Ų | 125.6 | 79% | 0.787 | 72% | 0.718 | S | S | * | * | trans | -152.8 | 100 | 170.4 | -165.9 | -173.9 | 176.5 | -169.4 | 0 | 111.8 | ||||
| 539 | D | 48.9 | Very low | 55.7 | Low | 142 Ų | 142 | 128.6 Ų | 128.6 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | 174.3 | 170.4 | 131.3 | -85.3 | -17.7 | 0 | 0 | 0 | 111 | ||||
| 540 | S | 42.4 | Very low | 53.5 | Low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | 63.4 | 102.1 | 177 | 67.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 541 | T | 38.8 | Very low | 51.7 | Low | 145 Ų | 145 | 130.5 Ų | 130.5 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | trans | -172.1 | 98.7 | 137.6 | 6.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 542 | T | 42.8 | Very low | 50.1 | Low | 146 Ų | 146 | 131.9 Ų | 131.9 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | trans | -164.1 | 127.6 | 167.1 | -1.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 543 | A | 42.6 | Very low | 48.6 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | trans | 64.8 | 153.3 | 160 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 544 | G | 43.3 | Very low | 47.6 | Very low | 66 Ų | 66 | 138.5 Ų | 138.5 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | 82.3 | 119.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 545 | E | 42.8 | Very low | 46.6 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | cis | 60.7 | 122.7 | 46.3 | -50.6 | -172.7 | 152.3 | 0 | 0 | 111.4 | ||||
| 546 | T | 46.6 | Very low | 45.8 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | cis | -148.5 | 179.7 | 35.2 | -49.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 547 | K | 44 | Very low | 45.5 | Very low | 185 Ų | 185 | 147.2 Ų | 147.2 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -51.7 | 151.1 | 173.6 | -54.7 | 167.4 | 180 | 173.3 | 0 | 112.5 | ||||
| 548 | E | 48 | Very low | 45 | Very low | 160 Ų | 160 | 145 Ų | 145 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | -169 | 160.4 | 71 | -90.3 | -157 | 116.7 | 0 | 0 | 115.2 | |||||
| 549 | N | 45.3 | Very low | 44.5 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | 35.5 | 118.3 | 144.5 | -48 | -24.8 | 0 | 0 | 0 | 121.4 | ||||
| 550 | G | 40.5 | Very low | 44.2 | Very low | 79 Ų | 79 | 141 Ų | 141 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | 176.4 | 119.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 551 | A | 43.6 | Very low | 44.1 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | -76.9 | 153 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 552 | P | 47.2 | Very low | 44.3 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | trans | -89.9 | 153.5 | -178.8 | 35.9 | -35.8 | 0 | 0 | 0 | 114.1 | ||||
| 553 | F | 46.3 | Very low | 44.3 | Very low | 215 Ų | 215 | 141.1 Ų | 141.1 | 94% | 0.943 | 79% | 0.789 | S | S | * | * | trans | -127.2 | 108.5 | 168.5 | -98.5 | -80.1 | 0 | 0 | 0 | 112.7 | ||||
| 554 | P | 50.4 | Low | 44.3 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | trans | -123.6 | 138.2 | 160.1 | 35.8 | -24.8 | 0 | 0 | 0 | 112 | ||||
| 555 | R | 44 | Very low | 44 | Very low | 244 Ų | 244 | 151.5 Ų | 151.5 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | 176.2 | 163.8 | 150.9 | -106.1 | 164.7 | 179.8 | -160 | -1.4 | 114.7 | ||||
| 556 | R | 43.8 | Very low | 44 | Very low | 229 Ų | 229 | 147.3 Ų | 147.3 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | 79.2 | 130.4 | 167.7 | -51 | -159.3 | 179.2 | -161.1 | -1.8 | 115.4 | ||||
| 557 | T | 48.8 | Very low | 43.9 | Very low | 108 Ų | 108 | 149.4 Ų | 149.4 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | cis | -154.9 | 135.9 | -5.7 | 7.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 558 | N | 42.7 | Very low | 43.9 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | 55.5 | 137.8 | 98.9 | -60 | 20.7 | 0 | 0 | 0 | 115.1 | |||||
| 559 | G | 41.1 | Very low | 43.6 | Very low | 66 Ų | 66 | 143.9 Ų | 143.9 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | cis | -134.7 | 165.6 | -3.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 560 | Q | 42.4 | Very low | 43.6 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | 86.8 | 161.5 | 52.5 | -73.2 | -149.9 | -76 | 0 | 0 | 114.9 | |||||
| 561 | D | 41.7 | Very low | 43.6 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 73.9 | 101.5 | -168.8 | -53.1 | -18.8 | 0 | 0 | 0 | 114.4 | ||||
| 562 | S | 42.4 | Very low | 43.7 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | cis | 81.1 | 147.9 | 16.4 | -48.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 563 | L | 42.7 | Very low | 43.5 | Very low | 159 Ų | 159 | 150.2 Ų | 150.2 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | 81.3 | 150.4 | 178.4 | -55.4 | 164.8 | 0 | 0 | 0 | 117.1 | ||||
| 564 | H | 42.5 | Very low | 43.3 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -170.8 | 172.2 | -41.8 | -135.9 | -99 | 0 | 0 | 0 | 110.2 | ||||
| 565 | R | 38.3 | Very low | 42.9 | Very low | 226 Ų | 226 | 142.9 Ų | 142.9 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | 73 | 149.5 | 167.8 | -63.8 | -179 | 172.9 | -156.5 | -2.2 | 116.7 | ||||
| 566 | S | 42.5 | Very low | 42.9 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | cis | -159.1 | 163.4 | -13.9 | -107.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 567 | K | 44 | Very low | 42.7 | Very low | 176 Ų | 176 | 132 Ų | 132 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | -33.6 | 158 | 165.4 | -55.8 | 179.8 | 177.8 | -172.9 | 0 | 115.6 | ||||
| 568 | S | 44.5 | Very low | 42.5 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | -171.8 | 172.1 | 56.9 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 569 | D | 41.3 | Very low | 42.3 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 65% | 0.647 | 79% | 0.788 | S | S | * | * | cis | -169.4 | 175.6 | -28.6 | -93.3 | -51.5 | 0 | 0 | 0 | 107.5 | ||||
| 570 | L | 45.6 | Very low | 42.7 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | 73.3 | 140.7 | 172.1 | -50.3 | 174.6 | 0 | 0 | 0 | 117.5 | ||||
| 571 | A | 40.4 | Very low | 42.6 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | cis | -157.3 | 150.1 | -19.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 572 | P | 45.1 | Very low | 42.6 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -123.4 | 150.1 | -174.3 | 40.2 | -28.3 | 0 | 0 | 0 | 116.4 | ||||
| 573 | I | 42.5 | Very low | 42.5 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -140.3 | 144.3 | 167.3 | -63.9 | -173.9 | 0 | 0 | 0 | 112.5 | ||||
| 574 | A | 42.5 | Very low | 42.4 | Very low | 101 Ų | 101 | 148.9 Ų | 148.9 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -20 | 161.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 575 | G | 41.3 | Very low | 42.4 | Very low | 61 Ų | 61 | 145.6 Ų | 145.6 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | cis | 162.8 | 175.1 | -3.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 576 | N | 44 | Very low | 42.4 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | trans | 63 | 148.2 | -178.9 | -57.1 | -19.1 | 0 | 0 | 0 | 115.3 | ||||
| 577 | G | 41 | Very low | 42.5 | Very low | 67 Ų | 67 | 142.8 Ų | 142.8 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | cis | 140.2 | 138.9 | 6.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 578 | L | 44 | Very low | 42.3 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | cis | -125.9 | 162.1 | 5.5 | -74 | 66.7 | 0 | 0 | 0 | 110.4 | ||||
| 579 | R | 38.7 | Very low | 42.6 | Very low | 249 Ų | 249 | 146 Ų | 146 | 94% | 0.94 | 81% | 0.814 | S | S | * | * | trans | -107.6 | 120.2 | 158 | -81.5 | -174.9 | 173.3 | -177.5 | -0.8 | 110 | ||||
| 580 | M | 50.2 | Low | 42.4 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -98.9 | 139.9 | 162.7 | -71.9 | -65.1 | -85.6 | 0 | 0 | 109.7 | ||||
| 581 | S | 39.6 | Very low | 42.5 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | trans | -125.8 | 170.7 | -176 | 67.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 582 | R | 40.7 | Very low | 42.8 | Very low | 234 Ų | 234 | 147 Ų | 147 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | 87.9 | 157.1 | 179.3 | -56.5 | 175.4 | 167.9 | -161.1 | -4.1 | 115.6 | ||||
| 583 | P | 42 | Very low | 43.2 | Very low | 121 Ų | 121 | 152 Ų | 152 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | cis | -126.9 | 167.9 | -24.7 | 28 | -9.2 | 0 | 0 | 0 | 113.6 | ||||
| 584 | K | 39.5 | Very low | 43.6 | Very low | 214 Ų | 214 | 149.8 Ų | 149.8 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -74.7 | 124 | 161.9 | -67.1 | 176.2 | 179 | 175.9 | 0 | 109.1 | ||||
| 585 | A | 41.9 | Very low | 43.6 | Very low | 97 Ų | 97 | 152.6 Ų | 152.6 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -101.2 | 127.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 586 | S | 39.2 | Very low | 44.2 | Very low | 114 Ų | 114 | 158.1 Ų | 158.1 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | -111.9 | 113.2 | 174.6 | -172.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 587 | L | 44.7 | Very low | 44.1 | Very low | 157 Ų | 157 | 160.5 Ų | 160.5 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | -101.2 | 98.8 | 174.4 | -88.7 | 164.7 | 0 | 0 | 0 | 110.2 | ||||
| 588 | R | 40.3 | Very low | 44.5 | Very low | 236 Ų | 236 | 169.2 Ų | 169.2 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | trans | -83.7 | 113.4 | 160.1 | -92.2 | 178.8 | 154.5 | -173.2 | -6 | 108.7 | ||||
| 589 | T | 49.4 | Very low | 44.6 | Very low | 116 Ų | 116 | 172.3 Ų | 172.3 | 71% | 0.712 | 84% | 0.838 | S | S | * | * | trans | -128 | 84.4 | 165.8 | 45.6 | 0 | 0 | 0 | 0 | 109.9 | I591 | T589-I591 PolarHBondContact O-N 3.23Š| ||
| 590 | S | 37.2 | Very low | 44.7 | Very low | 116 Ų | 116 | 169.3 Ų | 169.3 | 81% | 0.811 | 84% | 0.835 | S | S | * | * | trans | -80.8 | 108.1 | 172.1 | 53.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 591 | I | 49.5 | Very low | 44.5 | Very low | 162 Ų | 162 | 170.4 Ų | 170.4 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | trans | -97.9 | 124.9 | 170 | -63.4 | 179.3 | 0 | 0 | 0 | 108.9 | T589 | T589-I591 PolarHBondContact O-N 3.23Š| ||
| 592 | V | 45 | Very low | 44.8 | Very low | 126 Ų | 126 | 174.7 Ų | 174.7 | 76% | 0.764 | 84% | 0.844 | S | S | * | * | trans | -73 | 145.7 | -176 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 593 | R | 54.7 | Low | 45 | Very low | 231 Ų | 231 | 169.8 Ų | 169.8 | 87% | 0.872 | 84% | 0.84 | S | S | * | * | trans | -120.1 | 146.8 | 158.1 | -75.7 | -174.1 | 176.4 | 168.4 | 0.1 | 110.1 | ||||
| 594 | P | 51.3 | Low | 45 | Very low | 126 Ų | 126 | 170.1 Ų | 170.1 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -79.9 | 155.1 | -163.4 | -15 | 32.3 | 0 | 0 | 0 | 114.4 | ||||
| 595 | L | 41 | Very low | 45.4 | Very low | 160 Ų | 160 | 165.8 Ų | 165.8 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | trans | -70.5 | 138.6 | 165.9 | -113.2 | 74.7 | 0 | 0 | 0 | 111 | ||||
| 596 | M | 53.6 | Low | 45.8 | Very low | 176 Ų | 176 | 170.6 Ų | 170.6 | 87% | 0.867 | 84% | 0.839 | S | S | * | * | trans | -127.1 | 121.4 | 160 | -87.7 | -105.1 | 66.2 | 0 | 0 | 109.1 | ||||
| 597 | R | 43.7 | Very low | 46 | Very low | 228 Ų | 228 | 174.3 Ų | 174.3 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | trans | -82.8 | 144.3 | 178.2 | -72 | 172.2 | 164.2 | 144.4 | -8.9 | 110.7 | ||||
| 598 | R | 48.1 | Very low | 45.9 | Very low | 250 Ų | 250 | 171.5 Ų | 171.5 | 94% | 0.943 | 84% | 0.844 | S | S | * | * | trans | -144 | 144.1 | 148.1 | -129.5 | 171.8 | -179.3 | 157.1 | -0.1 | 111.9 | ||||
| 599 | R | 46 | Very low | 46 | Very low | 228 Ų | 228 | 165.8 Ų | 165.8 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | trans | -54 | 139.4 | 178.4 | -66 | 170 | 173 | -174 | -5.5 | 110.5 | ||||
| 600 | Q | 40.9 | Very low | 45.4 | Very low | 186 Ų | 186 | 166.8 Ų | 166.8 | 87% | 0.869 | 84% | 0.843 | S | S | * | * | 58 | 109.1 | 68.7 | -87.3 | -168.6 | -12.2 | 0 | 0 | 114 | |||||
| 601 | E | 46.7 | Very low | 45.6 | Very low | 201 Ų | 201 | 166.4 Ų | 166.4 | 94% | 0.939 | 85% | 0.847 | S | S | * | * | trans | -148.4 | 150.4 | 144.8 | -155.5 | 145.1 | -120.8 | 0 | 0 | 107.2 | ||||
| 602 | K | 44.8 | Very low | 45.1 | Very low | 189 Ų | 189 | 164 Ų | 164 | 82% | 0.822 | 85% | 0.845 | S | S | * | * | trans | -158 | 108 | -154.8 | 179.8 | -161 | 174.9 | -168.9 | 0 | 114.2 | ||||
| 603 | T | 44.6 | Very low | 45 | Very low | 132 Ų | 132 | 166.4 Ų | 166.4 | 81% | 0.81 | 85% | 0.852 | S | S | * | * | trans | -161.8 | 148.2 | 169.3 | 41.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 604 | T | 42.7 | Very low | 44.5 | Very low | 127 Ų | 127 | 160.4 Ų | 160.4 | 78% | 0.779 | 84% | 0.843 | S | S | * | * | cis | -158.5 | 144.5 | -41 | -1.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 605 | P | 47.4 | Very low | 43.9 | Very low | 123 Ų | 123 | 164.4 Ų | 164.4 | 80% | 0.799 | 85% | 0.848 | S | S | * | * | trans | -96 | 165.9 | -175.1 | 38.1 | -35.1 | 0 | 0 | 0 | 113.6 | ||||
| 606 | E | 51.1 | Low | 44.1 | Very low | 198 Ų | 198 | 162.2 Ų | 162.2 | 93% | 0.925 | 85% | 0.846 | S | S | * | * | trans | -140.1 | 141.1 | 160.2 | -171.7 | 169.1 | -129.7 | 0 | 0 | 109 | ||||
| 607 | E | 43.8 | Very low | 43.4 | Very low | 193 Ų | 193 | 158.8 Ų | 158.8 | 90% | 0.902 | 85% | 0.845 | S | S | * | * | trans | -129.2 | 139 | 178.9 | -69.5 | -173.1 | 131.2 | 0 | 0 | 110.3 | ||||
| 608 | A | 42 | Very low | 43.2 | Very low | 98 Ų | 98 | 151.1 Ų | 151.1 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | trans | -151.8 | 137.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 609 | P | 43.4 | Very low | 43.1 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 75% | 0.747 | 84% | 0.841 | S | S | * | * | trans | -111 | 155.8 | -163.9 | 41 | -35.6 | 0 | 0 | 0 | 116.3 | ||||
| 610 | T | 36 | Very low | 42.7 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 85% | 0.847 | 83% | 0.832 | S | S | * | * | trans | 34.5 | 119.2 | 146.8 | 59.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 611 | A | 42.1 | Very low | 42.9 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 88% | 0.884 | 84% | 0.835 | S | S | * | * | trans | -132.9 | 151.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 612 | S | 38.1 | Very low | 42.6 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 78% | 0.783 | 83% | 0.832 | S | S | * | * | trans | -138.3 | 148.1 | -175 | 59.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 613 | L | 43.8 | Very low | 42.8 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 93% | 0.927 | 84% | 0.835 | S | S | * | * | trans | -170.9 | 164.3 | 157.5 | -96.1 | 140.8 | 0 | 0 | 0 | 110.2 | ||||
| 614 | P | 42.8 | Very low | 42.4 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 68% | 0.675 | 83% | 0.834 | S | S | * | * | trans | -126.1 | 164.5 | -151.7 | 44.2 | -35.1 | 0 | 0 | 0 | 119.1 | ||||
| 615 | K | 39.8 | Very low | 42.5 | Very low | 211 Ų | 211 | 144.7 Ų | 144.7 | 92% | 0.917 | 84% | 0.84 | S | S | * | * | trans | 36.9 | 121.9 | 142.1 | -67 | -178.4 | 175.9 | 179.5 | 0 | 122.4 | ||||
| 616 | S | 44.1 | Very low | 42.2 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 84% | 0.841 | S | S | * | * | trans | -129 | 144.4 | 135.5 | 49.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 617 | A | 40.1 | Very low | 42 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | 65.3 | 121.4 | 54.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 618 | G | 39.5 | Very low | 41.8 | Very low | 68 Ų | 68 | 141.8 Ų | 141.8 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | cis | -177.4 | -162.4 | -0.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 619 | L | 45.4 | Very low | 42.2 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 100% | 1.005 | 83% | 0.83 | S | S | * | * | trans | 67.9 | 159.7 | -178.3 | -48.7 | 171.5 | 0 | 0 | 0 | 113.5 | ||||
| 620 | G | 37.4 | Very low | 41.9 | Very low | 67 Ų | 67 | 144.1 Ų | 144.1 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | cis | 145.6 | 143.3 | 8.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 621 | E | 44.5 | Very low | 42.2 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | cis | -147.8 | -172.3 | 6 | -72.6 | -167.2 | 86.3 | 0 | 0 | 111.7 | ||||
| 622 | R | 41.7 | Very low | 42.3 | Very low | 234 Ų | 234 | 146.7 Ų | 146.7 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -75.8 | 142.3 | 175.5 | -61.4 | 154.9 | 153.1 | 175 | -8.5 | 112.8 | ||||
| 623 | L | 47.9 | Very low | 42.5 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | trans | -147.6 | 118.4 | 142 | -86.2 | -170.9 | 0 | 0 | 0 | 112.6 | ||||
| 624 | S | 36.4 | Very low | 42.6 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -110 | 132.4 | 167.2 | -52 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 625 | K | 45 | Very low | 42.5 | Very low | 208 Ų | 208 | 145.8 Ų | 145.8 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | trans | -159.7 | 149.6 | 161.3 | -109.6 | 144.5 | -171.1 | 176.7 | 0 | 113.2 | ||||
| 626 | K | 42.5 | Very low | 43 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | trans | -76.2 | 151.8 | 179.6 | -56.5 | 171 | -179.5 | 176.7 | 0 | 110.4 | ||||
| 627 | L | 45.9 | Very low | 42.9 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | -129.7 | 105.5 | 155.5 | -73.6 | 179.9 | 0 | 0 | 0 | 109.9 | F629 | L627-F629 HydrophobicContact CD2-CE2 3.93Å; L627-F629 HydrophobicContact CD2-CZ 4.45Å | ||
| 628 | S | 39 | Very low | 43.1 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -120.1 | 107 | 168.8 | 53.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 629 | F | 50.8 | Low | 43.3 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -101.6 | 122.6 | 177.2 | -83 | -75.6 | 0 | 0 | 0 | 111 | L627 | L627-F629 HydrophobicContact CD2-CE2 3.93Å; L627-F629 HydrophobicContact CD2-CZ 4.45Å | ||
| 630 | G | 38 | Very low | 43.4 | Very low | 68 Ų | 68 | 143.5 Ų | 143.5 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -155.7 | 133 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 631 | S | 42.3 | Very low | 43.6 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 169.2 | 139.2 | 159.4 | -88.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 632 | K | 44.4 | Very low | 43.4 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | 65.6 | 152.5 | 148.4 | -67 | 170.3 | -174.9 | 179.5 | 0 | 118 | ||||
| 633 | S | 41.6 | Very low | 43.6 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | cis | 173.5 | 131.2 | -39.9 | 45.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 634 | G | 45.2 | Very low | 43.6 | Very low | 86 Ų | 86 | 137.1 Ų | 137.1 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -151.8 | 128.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 635 | K | 41.8 | Very low | 44.5 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | trans | -135.8 | 125.1 | -173.2 | -178.6 | -162.9 | 176.4 | -146.6 | 0 | 110.2 | E637 | K635-E637 WeakPolarHBondContact CE-OE1 3.43Å; K635-E637 IonicContact NZ-OE1 2.94Å; K635-E637 PolarHBondContact NZ-OE1 2.74Å | ||
| 636 | K | 49.3 | Very low | 44.5 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 81% | 0.809 | 79% | 0.793 | S | S | * | * | trans | -174.2 | 120.2 | 155.1 | -101.8 | 169.7 | 177.9 | -172.9 | 0 | 105.7 | ||||
| 637 | E | 42.4 | Very low | 44.8 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 61% | 0.607 | 79% | 0.785 | S | S | * | * | 88.7 | 150.8 | 56.1 | -71.6 | 165.5 | -169.5 | 0 | 0 | 112.8 | K635 | K635-E637 WeakPolarHBondContact CE-OE1 3.43Å; K635-E637 IonicContact NZ-OE1 2.94Å; K635-E637 PolarHBondContact NZ-OE1 2.74Å | |||
| 638 | S | 44.2 | Very low | 45 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | 77.6 | 121.2 | -163.5 | -56.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 639 | S | 43.5 | Very low | 45.1 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | cis | 85.6 | 129 | 41.8 | -165.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 640 | S | 47.3 | Very low | 45.1 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | cis | -158 | 164.9 | 7.8 | 53 | 0 | 0 | 0 | 0 | 115 | ||||
| 641 | N | 41.4 | Very low | 45.1 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | 63.6 | 131.9 | 146.9 | -61.9 | -10.4 | 0 | 0 | 0 | 122.9 | ||||
| 642 | G | 40.8 | Very low | 45.3 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | 170.3 | 99.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 643 | L | 46.2 | Very low | 45.1 | Very low | 178 Ų | 178 | 130 Ų | 130 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | trans | -95.1 | 149.7 | -171.1 | -68.3 | 167.1 | 0 | 0 | 0 | 113.9 | ||||
| 644 | P | 47.1 | Very low | 45.1 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -120 | 147.5 | 148 | 36.8 | -27.8 | 0 | 0 | 0 | 112.4 | ||||
| 645 | P | 56.7 | Low | 44.8 | Very low | 131 Ų | 131 | 137 Ų | 137 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -86.7 | 141.1 | 178.8 | 33.2 | -33.8 | 0 | 0 | 0 | 114.2 | ||||
| 646 | Q | 45 | Very low | 44.4 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -96.3 | -172.1 | 155.8 | -112.1 | -164.5 | 37.9 | 0 | 0 | 108.7 | ||||
| 647 | P | 47.9 | Very low | 43.8 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | cis | -115.9 | -148.9 | 10.3 | 19.4 | 8.8 | 0 | 0 | 0 | 111.2 | ||||
| 648 | L | 50.6 | Low | 43.8 | Very low | 158 Ų | 158 | 127.1 Ų | 127.1 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | cis | -146.8 | 175.4 | 21.4 | -91.2 | 171.5 | 0 | 0 | 0 | 113.7 | ||||
| 649 | S | 41.1 | Very low | 43.3 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -127.1 | -170.5 | 178.6 | -57 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 650 | P | 50.5 | Low | 43.2 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | -146.4 | 166.9 | 5.3 | 44.1 | -24.7 | 0 | 0 | 0 | 119.5 | ||||
| 651 | S | 38.6 | Very low | 42.5 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | trans | 52.2 | 117.1 | 135 | 177.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 652 | A | 45.3 | Very low | 42.2 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -146.8 | 160 | 131.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 653 | K | 40.1 | Very low | 41.9 | Very low | 186 Ų | 186 | 127 Ų | 127 | 81% | 0.809 | 81% | 0.807 | S | S | * | * | trans | -100.7 | 159 | -179.6 | -61.8 | 168.4 | -175.8 | 169.9 | 0 | 108.8 | ||||
| 654 | T | 42.7 | Very low | 41.6 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | -169.4 | 153.8 | 65.4 | 39.5 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 655 | K | 38.3 | Very low | 41.4 | Very low | 212 Ų | 212 | 129.6 Ų | 129.6 | 92% | 0.922 | 81% | 0.813 | S | S | * | * | trans | 11.7 | 138.1 | 152.5 | -64.4 | 179.3 | 173.7 | 179.6 | 0 | 121.1 | ||||
| 656 | G | 34 | Very low | 40.6 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | 131.1 | 46 | 127.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 657 | G | 36.2 | Very low | 40.5 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 120.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 658 | S | 41.3 | Very low | 40.1 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 154.9 | 178 | -171.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 659 | S | 35.6 | Very low | 39.4 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 69% | 0.692 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 141.6 | 164.7 | 55.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 660 | T | 40.3 | Very low | 39.2 | Very low | 142 Ų | 142 | 130 Ų | 130 | 87% | 0.871 | 82% | 0.824 | S | S | * | * | 178.5 | 123.1 | 121.9 | 28.3 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 661 | A | 32.5 | Very low | 38.5 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -131.3 | 89.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 662 | S | 35.2 | Very low | 38.5 | Very low | 119 Ų | 119 | 133 Ų | 133 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | trans | -153.6 | 149.8 | -179.6 | -78.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 663 | S | 35.5 | Very low | 38.1 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 72% | 0.72 | 83% | 0.834 | S | S | * | * | trans | 72.7 | 89.5 | 175.3 | -159.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 664 | L | 38.7 | Very low | 38.3 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 94% | 0.937 | 84% | 0.839 | S | S | * | * | trans | -141.3 | 22.1 | 163.2 | -85.9 | -177.5 | 0 | 0 | 0 | 113.6 | ||||
| 665 | I | 43.8 | Very low | 38.2 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -135.8 | 60.6 | -176.3 | -43.5 | -179.3 | 0 | 0 | 0 | 111.6 | ||
| 666 | S | 40.6 | Very low | 38.1 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 72% | 0.72 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -147.5 | 15.7 | -178.7 | -55.2 | 0 | 0 | 0 | 0 | 116.2 | ||
| 667 | Q | 42.1 | Very low | 38.7 | Very low | 189 Ų | 189 | 136.6 Ų | 136.6 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | -132.5 | 24.3 | -166.9 | -73.1 | -169.3 | -20.2 | 0 | 0 | 116.9 | ||||
| 668 | L | 38.5 | Very low | 38.9 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 94% | 0.937 | 83% | 0.83 | S | S | * | * | trans | -122.6 | 55.6 | 179 | -68.6 | 177.9 | 0 | 0 | 0 | 113.6 | ||||
| 669 | S | 35.9 | Very low | 39.1 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | -162 | 68.4 | 174.3 | 61.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 670 | A | 38.2 | Very low | 39.5 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | trans | -157.1 | 138.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 671 | S | 35.1 | Very low | 39.4 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | trans | 42.3 | 106.3 | 151.5 | -58.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 672 | L | 39.9 | Very low | 39.9 | Very low | 167 Ų | 167 | 152.7 Ų | 152.7 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -128.5 | 108.7 | 135.6 | -107.2 | 170.6 | 0 | 0 | 0 | 109.8 | ||||
| 673 | H | 36.5 | Very low | 40.2 | Very low | 176 Ų | 176 | 155.2 Ų | 155.2 | 82% | 0.815 | 83% | 0.829 | S | S | * | * | trans | -148.7 | 169.9 | 171.2 | -99.2 | 41.3 | 0 | 0 | 0 | 106.5 | ||||
| 674 | I | 44 | Very low | 40.4 | Very low | 179 Ų | 179 | 158.4 Ų | 158.4 | 92% | 0.918 | 83% | 0.832 | S | S | * | * | trans | 78.7 | 132.6 | -169.4 | -48.9 | 162.3 | 0 | 0 | 0 | 111.2 | ||||
| 675 | G | 40.2 | Very low | 40.7 | Very low | 72 Ų | 72 | 156.2 Ų | 156.2 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | cis | -159.5 | 165.8 | 1.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 676 | S | 36.4 | Very low | 40.5 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | trans | -94.1 | 153.6 | -175.3 | 76.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 677 | R | 46.4 | Very low | 40.6 | Very low | 254 Ų | 254 | 153.5 Ų | 153.5 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | trans | -135.6 | 151.5 | 157.9 | -71.6 | -166.4 | 171.8 | -152.3 | -2.5 | 110.3 | ||||
| 678 | K | 41.2 | Very low | 40.7 | Very low | 196 Ų | 196 | 151.8 Ų | 151.8 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | trans | -117.5 | 139 | -170.2 | -61.5 | 174.2 | 178.1 | 175.6 | 0 | 112.5 | ||||
| 679 | S | 43.9 | Very low | 40.8 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -174.8 | 129.1 | 144.5 | -109 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 680 | K | 44 | Very low | 41.3 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | 80.3 | 127.4 | 54.4 | -171.7 | -172.5 | -177.5 | -174.4 | 0 | 111.3 | |||||
| 681 | R | 38.9 | Very low | 41.5 | Very low | 217 Ų | 217 | 148.7 Ų | 148.7 | 82% | 0.819 | 81% | 0.812 | S | S | * | * | cis | 180 | 131.4 | -11.1 | 166.3 | -161.1 | -167.7 | -154.3 | 9.9 | 108.9 | ||||
| 682 | Q | 43 | Very low | 42 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | 170.6 | 153.7 | 158.1 | -100.8 | 164.2 | -20.4 | 0 | 0 | 109.5 | ||||
| 683 | Q | 42.3 | Very low | 42 | Very low | 171 Ų | 171 | 147.1 Ų | 147.1 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | cis | -158.9 | 157.4 | -28.8 | -137.3 | 168 | -17.9 | 0 | 0 | 109.1 | ||||
| 684 | Q | 38.3 | Very low | 42.4 | Very low | 171 Ų | 171 | 147 Ų | 147 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -115.6 | 172.5 | 172.5 | -71.7 | -173.8 | -24.3 | 0 | 0 | 110.9 | ||||
| 685 | P | 45 | Very low | 42.5 | Very low | 133 Ų | 133 | 144 Ų | 144 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | -131.5 | -172.8 | 108.2 | 34.6 | -22.9 | 0 | 0 | 0 | 113.5 | |||||
| 686 | A | 39.8 | Very low | 42.7 | Very low | 78 Ų | 78 | 151.3 Ų | 151.3 | 65% | 0.645 | 81% | 0.806 | S | S | * | * | trans | -152 | 156.3 | -169 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 687 | T | 43.7 | Very low | 43.3 | Very low | 132 Ų | 132 | 155.1 Ų | 155.1 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -141.1 | 112.2 | 175.7 | -54.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 688 | I | 43.8 | Very low | 43.1 | Very low | 153 Ų | 153 | 150.8 Ų | 150.8 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | 73.6 | 133.1 | 63.9 | -61 | 165.7 | 0 | 0 | 0 | 112 | |||||
| 689 | A | 40.3 | Very low | 43.3 | Very low | 92 Ų | 92 | 153.1 Ų | 153.1 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | cis | -172.6 | 163.2 | -25.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 690 | S | 46.6 | Very low | 43.2 | Very low | 127 Ų | 127 | 153 Ų | 153 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | 169.1 | 163.9 | 141.1 | -166.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 691 | S | 42.2 | Very low | 43.5 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | -153.5 | 144.6 | -167.1 | 54.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 692 | V | 46 | Very low | 44.1 | Very low | 140 Ų | 140 | 145 Ų | 145 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -148 | 123.3 | 156 | -176 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 693 | P | 39.7 | Very low | 44 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | trans | -109.2 | 143.4 | 169.9 | 36.5 | -28.1 | 0 | 0 | 0 | 112.4 | ||||
| 694 | L | 45.4 | Very low | 44.8 | Very low | 173 Ų | 173 | 143 Ų | 143 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -139 | 148.1 | 163.8 | -100.7 | 174.6 | 0 | 0 | 0 | 111.9 | ||||
| 695 | T | 44.7 | Very low | 46.3 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | trans | -113 | 151.9 | -167.8 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 696 | R | 45.4 | Very low | 46.9 | Very low | 226 Ų | 226 | 142.6 Ų | 142.6 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | 178.6 | 119.7 | 125.9 | -95.9 | 155.6 | -172.3 | -152.2 | 2.3 | 115.3 | |||||
| 697 | K | 47.9 | Very low | 47.8 | Very low | 186 Ų | 186 | 144.1 Ų | 144.1 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | trans | 52.3 | 98.3 | 132.8 | -61 | -175.7 | 176.6 | -174.8 | 0 | 120.1 | ||||
| 698 | N | 43.9 | Very low | 48.9 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | 29.1 | 116.5 | 119.2 | -54.1 | 4.6 | 0 | 0 | 0 | 119 | |||||
| 699 | R | 44.4 | Very low | 49.6 | Very low | 245 Ų | 245 | 144.1 Ų | 144.1 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | -144.5 | 128.1 | 129.6 | -161.9 | 167.8 | -174 | 151.7 | 0.7 | 109.4 | |||||
| 700 | A | 42.3 | Very low | 49.7 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | trans | -71.1 | 132.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 701 | S | 48.8 | Very low | 49.8 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -126.1 | 136.6 | 167.4 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | F703 | S701-F703 PolarHBondContact O-N 3.08Š| ||
| 702 | V | 53.2 | Low | 50.4 | Low | 130 Ų | 130 | 144.3 Ų | 144.3 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | -80.7 | 114.6 | 176.6 | 176.3 | 0 | 0 | 0 | 0 | 107.7 | V704 | V702-V704 PolarHBondContact O-N 3.14Š| ||
| 703 | F | 40.4 | Very low | 50.4 | Low | 193 Ų | 193 | 147.1 Ų | 147.1 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -65.8 | 96.6 | 173.3 | -100.6 | -87.6 | 0 | 0 | 0 | 110.4 | S701 | S701-F703 PolarHBondContact O-N 3.08Š| ||
| 704 | V | 58.7 | Low | 50.4 | Low | 111 Ų | 111 | 146.3 Ų | 146.3 | 67% | 0.673 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 128.2 | 152.2 | -179.6 | 0 | 0 | 0 | 0 | 106.3 | V702 E706 | V702-V704 PolarHBondContact O-N 3.14Å; V704-E706 PolarHBondContact O-N 2.94Å |
| 705 | P | 70 | Confident | 50.2 | Low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 121.6 | 174.3 | -23.2 | 34.2 | 0 | 0 | 0 | 110.4 | N707 | P705-N707 PolarHBondContact O-N 3.02Š|
| 706 | E | 56.7 | Low | 50.5 | Low | 180 Ų | 180 | 143.5 Ų | 143.5 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63 | 135 | 175.1 | -72 | 177.2 | 111.1 | 0 | 0 | 110.2 | V704 P708 | V704-E706 PolarHBondContact O-N 2.94Å; E706-P708 WeakPolarHBondContact O-CD 3.47Å |
| 707 | N | 58.9 | Low | 50.5 | Low | 109 Ų | 109 | 138 Ų | 138 | 58% | 0.583 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 118.5 | 170.4 | 172.7 | 18.5 | 0 | 0 | 0 | 108.6 | P705 F709 | P705-N707 PolarHBondContact O-N 3.02Å; N707-F709 PolarHBondContact ND2-O 3.48Å; N707-F709 PolarHBondContact O-N 2.88Å; N707-F709 VanDerWaalsContact O-N 3.1Å; N707-F709 PolarHBondContact OD1-N 2.81Å |
| 708 | P | 66.8 | Low | 50.8 | Low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -69.2 | -6.9 | -179.5 | 29.5 | -35.8 | 0 | 0 | 0 | 113.6 | E706 | E706-P708 WeakPolarHBondContact O-CD 3.47Š|
| 709 | F | 59.1 | Low | 51 | Low | 169 Ų | 169 | 134.5 Ų | 134.5 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -101.2 | 85.1 | 169.8 | -60 | -78.6 | 0 | 0 | 0 | 109.7 | N707 | N707-F709 PolarHBondContact ND2-O 3.48Å; N707-F709 PolarHBondContact O-N 2.88Å; N707-F709 VanDerWaalsContact O-N 3.1Å; N707-F709 PolarHBondContact OD1-N 2.81Å |
| 710 | G | 42 | Very low | 51.1 | Low | 59 Ų | 59 | 127.8 Ų | 127.8 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | trans | -62.6 | 147.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S712 | G710-S712 PolarHBondContact O-N 2.87Š| ||
| 711 | D | 49 | Very low | 51.6 | Low | 175 Ų | 175 | 131.2 Ų | 131.2 | 94% | 0.936 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -64.4 | 95 | 170.9 | -87 | -53.3 | 0 | 0 | 0 | 109.8 | ||
| 712 | S | 54 | Low | 51.6 | Low | 95 Ų | 95 | 131.9 Ų | 131.9 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | trans | -154.1 | 126 | 177.6 | -77.2 | 0 | 0 | 0 | 0 | 110 | G710 | G710-S712 PolarHBondContact O-N 2.87Š| ||
| 713 | F | 46.2 | Very low | 51.2 | Low | 199 Ų | 199 | 133.8 Ų | 133.8 | 87% | 0.873 | 77% | 0.769 | S | S | * | * | trans | 56.5 | 62.5 | 175.7 | -60.8 | -78.4 | 0 | 0 | 0 | 116.2 | G715 | F713-G715 PolarHBondContact O-N 3.3Š| ||
| 714 | G | 41.3 | Very low | 51.6 | Low | 97 Ų | 97 | 131.9 Ų | 131.9 | 100% | 1 | 77% | 0.767 | S | S | * | * | trans | -64.3 | 71 | 144.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 715 | G | 41 | Very low | 50.8 | Low | 54 Ų | 54 | 132.8 Ų | 132.8 | 56% | 0.557 | 77% | 0.774 | S | S | * | * | trans | -147.3 | 138.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | F713 | F713-G715 PolarHBondContact O-N 3.3Š| ||
| 716 | L | 49.5 | Very low | 49.6 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | 53 | 73.3 | 175.9 | -62.7 | 172.7 | 0 | 0 | 0 | 115.5 | P718 | L716-P718 VanDerWaalsContact O-CD 3.31Å; L716-P718 WeakPolarHBondContact O-CD 3.46Å | ||
| 717 | N | 47 | Very low | 48.9 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 59% | 0.594 | 78% | 0.78 | S | S | * | * | trans | -75.5 | 113.1 | 155.8 | 178.7 | -6.2 | 0 | 0 | 0 | 109 | L719 | N717-L719 PolarHBondContact O-N 3Å; N717-L719 PolarHBondContact OD1-N 3.01Å | ||
| 718 | P | 52.7 | Low | 48.1 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -3.1 | -172 | 31.9 | -36.4 | 0 | 0 | 0 | 114.4 | L716 | L716-P718 VanDerWaalsContact O-CD 3.31Å; L716-P718 WeakPolarHBondContact O-CD 3.46Å |
| 719 | L | 49.9 | Very low | 46.9 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 13.8 | -175.4 | -70.5 | 168 | 0 | 0 | 0 | 114.6 | N717 | N717-L719 PolarHBondContact O-N 3Å; N717-L719 PolarHBondContact OD1-N 3.01Å |
| 720 | C | 45.4 | Very low | 46.2 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 70% | 0.703 | 80% | 0.799 | S | S | * | * | trans | -126 | 63.4 | 179.5 | -71.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 721 | Q | 52.6 | Low | 46.3 | Very low | 180 Ų | 180 | 151 Ų | 151 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -105.7 | 134.3 | 161 | -72.1 | -162 | -4 | 0 | 0 | 111.1 | ||||
| 722 | P | 48.7 | Very low | 46 | Very low | 121 Ų | 121 | 152 Ų | 152 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -76.9 | 129.5 | 178.1 | 30.5 | -33.2 | 0 | 0 | 0 | 111.4 | N724 | P722-N724 PolarHBondContact O-N 3.17Š| ||
| 723 | L | 44.9 | Very low | 45.5 | Very low | 170 Ų | 170 | 153.1 Ų | 153.1 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -67.5 | 90.8 | 171.4 | -76 | 169 | 0 | 0 | 0 | 110.6 | T725 | L723-T725 PolarHBondContact O-N 2.9Š| ||
| 724 | N | 49.8 | Very low | 45.3 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -82.6 | 100.9 | 179.1 | -164.1 | -1.6 | 0 | 0 | 0 | 110.6 | P722 R726 | P722-N724 PolarHBondContact O-N 3.17Å; N724-R726 PolarHBondContact O-N 2.97Å | ||
| 725 | T | 41.4 | Very low | 45.3 | Very low | 131 Ų | 131 | 151.7 Ų | 151.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -84.8 | 110.5 | -174.8 | 44.1 | 0 | 0 | 0 | 0 | 112.2 | L723 | L723-T725 PolarHBondContact O-N 2.9Š| ||
| 726 | R | 44.6 | Very low | 45.5 | Very low | 233 Ų | 233 | 156.9 Ų | 156.9 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -141.8 | 95.9 | 170.2 | -163.9 | 166.1 | -177.2 | 155.1 | -1.2 | 113.9 | N724 | N724-R726 PolarHBondContact O-N 2.97Š| ||
| 727 | N | 41.7 | Very low | 45.2 | Very low | 157 Ų | 157 | 152.5 Ų | 152.5 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -65 | 134.3 | 167 | -74.7 | -38.4 | 0 | 0 | 0 | 111.6 | ||||
| 728 | R | 41.5 | Very low | 45 | Very low | 239 Ų | 239 | 155.9 Ų | 155.9 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -171 | 90 | 141.2 | -106 | 169.9 | -166.8 | -150.2 | 2.7 | 113.6 | ||||
| 729 | R | 43 | Very low | 44.5 | Very low | 227 Ų | 227 | 157.2 Ų | 157.2 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | 34.7 | 129.4 | 127.5 | -140.9 | -178.1 | -170.7 | 176.5 | 2.7 | 120 | |||||
| 730 | T | 43.9 | Very low | 44 | Very low | 119 Ų | 119 | 155.8 Ų | 155.8 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | trans | 67.4 | 148.6 | 147.2 | 41.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 731 | K | 44.4 | Very low | 43.8 | Very low | 157 Ų | 157 | 156.8 Ų | 156.8 | 68% | 0.683 | 78% | 0.784 | S | S | * | * | cis | -172.2 | 154.2 | -15.9 | -169.3 | 179.5 | -179.9 | 178.7 | 0 | 110.4 | ||||
| 732 | R | 43.7 | Very low | 43.2 | Very low | 195 Ų | 195 | 154.1 Ų | 154.1 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | 77.8 | 119.8 | 151.1 | -105.4 | 174.7 | -172.1 | 170.9 | -2.6 | 121.5 | ||||
| 733 | T | 41.6 | Very low | 42.9 | Very low | 119 Ų | 119 | 154.2 Ų | 154.2 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | 52.9 | 111.6 | 129.4 | 53.9 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 734 | A | 42.5 | Very low | 42.7 | Very low | 89 Ų | 89 | 151.7 Ų | 151.7 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | 82.9 | 136 | 111.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 735 | E | 41.6 | Very low | 42.6 | Very low | 176 Ų | 176 | 152.3 Ų | 152.3 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | 79 | 139.4 | 148.5 | -81.2 | -178.6 | -154.5 | 0 | 0 | 124 | ||||
| 736 | M | 45.6 | Very low | 42.6 | Very low | 164 Ų | 164 | 152.1 Ų | 152.1 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | 50.4 | 118 | 146.2 | -63.2 | -59.3 | -178.5 | 0 | 0 | 122.5 | ||||
| 737 | A | 42 | Very low | 42.6 | Very low | 84 Ų | 84 | 147.5 Ų | 147.5 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | 58.8 | 114.4 | 126.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 738 | K | 44.4 | Very low | 43 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 79% | 0.787 | 75% | 0.746 | S | S | * | * | trans | 63.7 | 132.3 | 135.6 | -71.3 | -170.3 | 171.8 | -166.8 | 0 | 121.1 | ||||
| 739 | E | 41.2 | Very low | 43.1 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 67% | 0.673 | 74% | 0.741 | S | S | * | * | trans | 74.6 | 117.3 | 141.9 | -73.8 | -176 | 87.5 | 0 | 0 | 120.8 | ||||
| 740 | N | 40.5 | Very low | 43.5 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | trans | 79.4 | 122.2 | 132 | -60.2 | -20.1 | 0 | 0 | 0 | 121.1 | ||||
| 741 | V | 40.4 | Very low | 43.5 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | 85.5 | 101.3 | 127.7 | 170.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 742 | V | 40 | Very low | 43.4 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | 79.9 | 109.4 | 124.9 | 169.6 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 743 | V | 42.8 | Very low | 43.5 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | trans | 85 | 123.2 | 131.1 | 167.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 744 | D | 40.8 | Very low | 43.6 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | trans | 55.9 | 133.5 | 143.1 | -80.1 | 1.1 | 0 | 0 | 0 | 127.9 | ||||
| 745 | K | 47.2 | Very low | 44 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | 92.1 | 126.8 | 128.3 | -77.3 | 172 | -178.7 | 120.9 | 0 | 123.9 | |||||
| 746 | N | 42 | Very low | 44.1 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | trans | 78.2 | 131.8 | 135.3 | -71.1 | 39.3 | 0 | 0 | 0 | 124 | ||||
| 747 | D | 43 | Very low | 44.4 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 42.9 | 139.6 | 135 | -50.4 | -52.6 | 0 | 0 | 0 | 120.7 | ||||
| 748 | D | 50.6 | Low | 44.6 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | -164.1 | -165.5 | 64.4 | -144.6 | -35.8 | 0 | 0 | 0 | 114.8 | |||||
| 749 | K | 43.3 | Very low | 44.6 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -101.8 | 174.2 | -171 | -60.4 | 167.9 | -178.6 | 165.3 | 0 | 115 | ||||
| 750 | L | 53.1 | Low | 45 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | 161.1 | 176.3 | 132.6 | -84.3 | 169.4 | 0 | 0 | 0 | 111.4 | ||||
| 751 | N | 43.4 | Very low | 45 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | -157.6 | 176.2 | -78.8 | -164.5 | 13.7 | 0 | 0 | 0 | 111.8 | |||||
| 752 | N | 42.5 | Very low | 45 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 85.2 | 139.8 | 155 | -64 | -31.8 | 0 | 0 | 0 | 122.7 | ||||
| 753 | G | 45.3 | Very low | 45.1 | Very low | 81 Ų | 81 | 140.1 Ų | 140.1 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | 161.4 | 124.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 754 | S | 44.3 | Very low | 45 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -151.6 | 176.2 | -156.2 | -163.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 755 | M | 50.6 | Low | 44.8 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | 74.5 | 163 | 171.4 | -60.4 | -174.7 | -175.8 | 0 | 0 | 119.3 | ||||
| 756 | E | 42.9 | Very low | 44.5 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | -171.5 | -177.6 | -52.8 | -133.9 | -178.4 | -155.3 | 0 | 0 | 110.9 | |||||
| 757 | K | 52 | Low | 44.3 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | 83.1 | 152.6 | 171.4 | -53.4 | 173.1 | -176 | 175.9 | 0 | 118.3 | ||||
| 758 | S | 46.9 | Very low | 44.5 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | -178.8 | 127.3 | -52.5 | 48.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 759 | L | 44.3 | Very low | 44 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | 62.5 | 170.8 | 150.1 | -64.8 | 172.3 | 0 | 0 | 0 | 119.8 | ||||
| 760 | P | 49.8 | Very low | 43.9 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | cis | -123.7 | -148.2 | -12.6 | 25.3 | -0.4 | 0 | 0 | 0 | 114.1 | ||||
| 761 | S | 39.6 | Very low | 43.4 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -140.3 | -166.7 | -152 | 60.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 762 | S | 40.4 | Very low | 43.4 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 82.8 | 152.5 | 174.8 | 79.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 763 | L | 42.8 | Very low | 43.2 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | cis | -146.2 | 174.2 | 14 | -75.7 | 167.5 | 0 | 0 | 0 | 108.5 | ||||
| 764 | S | 40.5 | Very low | 42.8 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | cis | 176.2 | 130 | -32.1 | 61.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 765 | N | 37.3 | Very low | 42.8 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -3.6 | 143.4 | 165.6 | -49.3 | -12.6 | 0 | 0 | 0 | 122.2 | ||||
| 766 | S | 40.1 | Very low | 42.4 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -156.8 | 163.2 | 144.1 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 767 | S | 37.9 | Very low | 42.5 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -163.2 | 127.8 | -167.6 | 56.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 768 | S | 46.6 | Very low | 42.3 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -166 | 138.5 | 159 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 769 | T | 40.9 | Very low | 42.2 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | cis | 67.8 | 108.4 | 41.3 | 70.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 770 | G | 40.6 | Very low | 42.1 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -179.4 | 125.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 771 | E | 42.7 | Very low | 41.4 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 71% | 0.71 | 79% | 0.789 | S | S | * | * | trans | -115.6 | -177.3 | -171.4 | -66.3 | 174.2 | 115.6 | 0 | 0 | 111.9 | ||||
| 772 | Y | 43.1 | Very low | 41.4 | Very low | 189 Ų | 189 | 131 Ų | 131 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 98.8 | 140.5 | 155.5 | -53.9 | -64.1 | 0 | 0 | 0 | 121.4 | ||||
| 773 | D | 37.9 | Very low | 41.5 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 71.9 | 71.7 | 148.1 | -58.8 | -11.6 | 0 | 0 | 0 | 123.7 | ||||
| 774 | T | 38.3 | Very low | 41.4 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | 31.4 | 89.4 | 100.3 | -41.4 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 775 | V | 43.7 | Very low | 41.4 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -138.8 | 109.6 | 151 | -162 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 776 | S | 41.9 | Very low | 41.7 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | -8.3 | 135.4 | 155.1 | -159.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 777 | S | 44.6 | Very low | 41.6 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 70.7 | 164.4 | 139.6 | -63.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 778 | P | 49.1 | Very low | 42.1 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | cis | -127.1 | 179.3 | -39.1 | 35.6 | -18 | 0 | 0 | 0 | 112.2 | ||||
| 779 | P | 45.3 | Very low | 41.8 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 146 | -161.8 | 34.7 | -35.7 | 0 | 0 | 0 | 116.7 | ||
| 780 | C | 40.8 | Very low | 41.9 | Very low | 134 Ų | 134 | 139 Ų | 139 | 91% | 0.905 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 124.5 | 166.8 | -73.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 781 | T | 36.1 | Very low | 42.1 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 132.3 | 164.4 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 782 | F | 39.7 | Very low | 41.9 | Very low | 193 Ų | 193 | 138.2 Ų | 138.2 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -143.9 | 122.5 | 174.3 | -140.5 | -104.1 | 0 | 0 | 0 | 116.9 | ||||
| 783 | S | 40.9 | Very low | 42.2 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 68.9 | 165.2 | 151.8 | 74.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 784 | R | 41 | Very low | 42.6 | Very low | 230 Ų | 230 | 135 Ų | 135 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -133.5 | 148.5 | -173.4 | -76.6 | 174.8 | 157.6 | -166.3 | -3.2 | 110.7 | ||||
| 785 | S | 40 | Very low | 43 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 68.5 | 156.8 | 157.4 | -50.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 786 | P | 45.6 | Very low | 43.2 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | -117.9 | 165.5 | 70.2 | 37.8 | -34.5 | 0 | 0 | 0 | 115 | |||||
| 787 | S | 37.6 | Very low | 44 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -94.3 | 126.6 | 174.1 | 160.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 788 | L | 47.1 | Very low | 44.9 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | trans | -108.9 | 124.2 | 166.9 | -66.6 | 177.1 | 0 | 0 | 0 | 110.5 | ||||
| 789 | R | 41.2 | Very low | 46 | Very low | 240 Ų | 240 | 136.7 Ų | 136.7 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | -119.2 | 119.9 | 172.1 | -96 | -171.7 | 168 | -154.4 | -0.1 | 109.2 | ||||
| 790 | S | 43.2 | Very low | 47.4 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | -165.6 | 164.8 | 163.3 | 61.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 791 | P | 43.8 | Very low | 48.9 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | -119 | 173.1 | -70.3 | 35.7 | -24.6 | 0 | 0 | 0 | 112.3 | L793 | P791-L793 PolarHBondContact O-N 3Š| |||
| 792 | S | 38.7 | Very low | 50.6 | Low | 112 Ų | 112 | 131.2 Ų | 131.2 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | -72.6 | 111.7 | 179.1 | 49.1 | 0 | 0 | 0 | 0 | 112.6 | S794 | S792-S794 PolarHBondContact O-N 2.96Å; S792-S794 VanDerWaalsContact O-N 3.15Å | ||
| 793 | L | 49.8 | Very low | 52 | Low | 132 Ų | 132 | 129.2 Ų | 129.2 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | -86.4 | 67.8 | -178.2 | -72.5 | 172.3 | 0 | 0 | 0 | 113.9 | P791 G795 F796 | P791-L793 PolarHBondContact O-N 3Å; L793-G795 PolarHBondContact O-N 2.92Å; L793-F796 HydrophobicContact CD1-CD2 4.45Å; L793-F796 HydrophobicContact CD1-CE2 4.26Å; L793-F796 HydrophobicContact CD2-CE2 4.35Å | ||
| 794 | S | 45.3 | Very low | 53.2 | Low | 121 Ų | 121 | 130.8 Ų | 130.8 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 86.5 | 162.2 | 54.5 | 0 | 0 | 0 | 0 | 110 | S792 | S792-S794 PolarHBondContact O-N 2.96Å; S792-S794 VanDerWaalsContact O-N 3.15Å |
| 795 | G | 47.2 | Very low | 54.7 | Low | 69 Ų | 69 | 123.3 Ų | 123.3 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.5 | -4.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 119 | L793 N797 | L793-G795 PolarHBondContact O-N 2.92Å; G795-N797 PolarHBondContact O-N 2.87Å |
| 796 | F | 49.3 | Very low | 56 | Low | 176 Ų | 176 | 122.7 Ų | 122.7 | 77% | 0.772 | 69% | 0.687 | S | S | * | * | trans | -76.3 | 95.1 | -177.7 | -101.2 | -87.7 | 0 | 0 | 0 | 113.1 | L793 | L793-F796 HydrophobicContact CD1-CD2 4.45Å; L793-F796 HydrophobicContact CD1-CE2 4.26Å; L793-F796 HydrophobicContact CD2-CE2 4.35Å | ||
| 797 | N | 56.9 | Low | 56.8 | Low | 105 Ų | 105 | 118.7 Ų | 118.7 | 56% | 0.561 | 66% | 0.662 | S | S | * | * | trans | -79.7 | 132 | 173.3 | -170.7 | -22.9 | 0 | 0 | 0 | 111 | G795 K799 | G795-N797 PolarHBondContact O-N 2.87Å; N797-K799 PolarHBondContact O-N 3.13Å; N797-K799 VanDerWaalsContact O-N 3.13Å; N797-K799 WeakPolarHBondContact OD1-CG 3.5Å; N797-K799 PolarHBondContact OD1-N 3.31Å | ||
| 798 | S | 64.1 | Low | 57.8 | Low | 99 Ų | 99 | 117 Ų | 117 | 69% | 0.692 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -1.7 | -174.8 | 54.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 799 | K | 71.6 | Confident | 58.3 | Low | 174 Ų | 174 | 116.9 Ų | 116.9 | 76% | 0.757 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 5.2 | -176 | -65.2 | -177 | 179 | -175.7 | 0 | 115.5 | N797 | N797-K799 PolarHBondContact O-N 3.13Å; N797-K799 VanDerWaalsContact O-N 3.13Å; N797-K799 WeakPolarHBondContact OD1-CG 3.5Å; N797-K799 PolarHBondContact OD1-N 3.31Å |
| 800 | S | 74.6 | Confident | 58.9 | Low | 49 Ų | 49 | 111.9 Ų | 111.9 | 34% | 0.343 | 63% | 0.633 | S | S | . | * | trans | -75.5 | 135.7 | -176.8 | 77.8 | 0 | 0 | 0 | 0 | 113 | L802 Y803 | S800-L802 VanDerWaalsContact C-N 3.28Å; S800-L802 PolarHBondContact O-N 3.29Å; S800-Y803 PolarHBondContact O-N 2.89Å; S800-Y803 VanDerWaalsContact O-N 3.07Å | ||
| 801 | P | 72.8 | Confident | 59.4 | Low | 101 Ų | 101 | 116.5 Ų | 116.5 | 66% | 0.656 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -59.2 | -34.5 | -178.8 | -27.8 | 35.7 | 0 | 0 | 0 | 114.1 | Y803 Q804 T805 | P801-Y803 PolarHBondContact O-N 2.81Å; P801-Q804 PolarHBondContact O-N 3.02Å; P801-Q804 VanDerWaalsContact O-N 3.09Å; P801-T805 PolarHBondContact O-N 3.47Å; P801-T805 PolarHBondContact O-OG1 3.16Å |
| 802 | L | 71.5 | Confident | 59.3 | Low | 128 Ų | 128 | 116.6 Ų | 116.6 | 67% | 0.67 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -56.8 | -36.9 | 175.7 | -92.8 | 163.6 | 0 | 0 | 0 | 112.6 | S800 Q804 T805 I806 | S800-L802 VanDerWaalsContact C-N 3.28Å; S800-L802 PolarHBondContact O-N 3.29Å; L802-Q804 VanDerWaalsContact C-N 3.35Å; L802-T805 PolarHBondContact O-N 3.15Å; L802-I806 WeakPolarHBondContact O-CG1 3.49Å; L802-I806 PolarHBondContact O-N 3.39Å |
| 803 | Y | 69.3 | Low | 60.1 | Low | 150 Ų | 150 | 114 Ų | 114 | 59% | 0.588 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.5 | -33.3 | 178.6 | -157.6 | -89.6 | 0 | 0 | 0 | 112.2 | S800 P801 S807 | S800-Y803 PolarHBondContact O-N 2.89Å; S800-Y803 VanDerWaalsContact O-N 3.07Å; P801-Y803 PolarHBondContact O-N 2.81Å; Y803-S807 WeakPolarHBondContact O-CB 3.4Å; Y803-S807 PolarHBondContact O-N 2.81Å; Y803-S807 PolarHBondContact O-OG 2.95Å |
| 804 | Q | 67.7 | Low | 61.5 | Low | 140 Ų | 140 | 111.2 Ų | 111.2 | 65% | 0.654 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.6 | -45 | 172.6 | -66 | -170.4 | -3.4 | 0 | 0 | 111.6 | P801 L802 I806 S807 S808 | P801-Q804 PolarHBondContact O-N 3.02Å; P801-Q804 VanDerWaalsContact O-N 3.09Å; L802-Q804 VanDerWaalsContact C-N 3.35Å; Q804-I806 VanDerWaalsContact C-N 3.32Å; Q804-I806 PolarHBondContact O-N 3.35Å; Q804-S807 PolarHBondContact O-N 2.83Å; Q804-S808 PolarHBondContact O-N 3.49Å; Q804-S808 PolarHBondContact O-OG 3.2Å |
| 805 | T | 71.8 | Confident | 63 | Low | 73 Ų | 73 | 111.3 Ų | 111.3 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.8 | -34.2 | 179.3 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | P801 L802 S808 K809 | P801-T805 PolarHBondContact O-N 3.47Å; P801-T805 PolarHBondContact O-OG1 3.16Å; L802-T805 PolarHBondContact O-N 3.15Å; T805-S808 PolarHBondContact O-OG 3.14Å; T805-S808 VanDerWaalsContact O-OG 3.09Å; T805-K809 WeakPolarHBondContact O-CG 3.23Å; T805-K809 PolarHBondContact O-N 2.88Å |
| 806 | I | 67.4 | Low | 64.5 | Low | 97 Ų | 97 | 111.8 Ų | 111.8 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -74.9 | -43.2 | 173.3 | -66.3 | 167.7 | 0 | 0 | 0 | 110.3 | L802 Q804 S808 K809 I810 | L802-I806 WeakPolarHBondContact O-CG1 3.49Å; L802-I806 PolarHBondContact O-N 3.39Å; Q804-I806 VanDerWaalsContact C-N 3.32Å; Q804-I806 PolarHBondContact O-N 3.35Å; I806-S808 VanDerWaalsContact C-N 3.31Å; I806-S808 PolarHBondContact O-N 3.4Å; I806-K809 PolarHBondContact O-N 2.82Å; I806-I810 HydrophobicContact CG2-CD1 3.75Å; I806-I810 WeakPolarHBondContact O-CG1 3.48Å; I806-I810 PolarHBondContact O-N 3.23Å |
| 807 | S | 61.2 | Low | 65.8 | Low | 39 Ų | 39 | 108.4 Ų | 108.4 | 27% | 0.273 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.3 | -30.2 | 178.8 | -65 | 0 | 0 | 0 | 0 | 113.9 | Y803 Q804 R811 | Y803-S807 WeakPolarHBondContact O-CB 3.4Å; Y803-S807 PolarHBondContact O-N 2.81Å; Y803-S807 PolarHBondContact O-OG 2.95Å; Q804-S807 PolarHBondContact O-N 2.83Å; S807-R811 WeakPolarHBondContact O-CD 3.46Å; S807-R811 WeakPolarHBondContact O-CG 3.45Å |
| 808 | S | 59 | Low | 66.9 | Low | 66 Ų | 66 | 109.6 Ų | 109.6 | 46% | 0.462 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -74.8 | -46.7 | 175.8 | 59.6 | 0 | 0 | 0 | 0 | 111.6 | Q804 T805 I806 I810 R811 | Q804-S808 PolarHBondContact O-N 3.49Å; Q804-S808 PolarHBondContact O-OG 3.2Å; T805-S808 PolarHBondContact O-OG 3.14Å; T805-S808 VanDerWaalsContact O-OG 3.09Å; I806-S808 VanDerWaalsContact C-N 3.31Å; I806-S808 PolarHBondContact O-N 3.4Å; S808-I810 VanDerWaalsContact C-N 3.29Å; S808-I810 PolarHBondContact O-N 3.03Å; S808-R811 PolarHBondContact O-N 2.76Å; S808-R811 VanDerWaalsContact O-N 3.09Å |
| 809 | K | 58.2 | Low | 68 | Low | 167 Ų | 167 | 110.3 Ų | 110.3 | 73% | 0.726 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.4 | -32.5 | 178.6 | -73.9 | -173.2 | 176.3 | -173.6 | 0 | 113.6 | T805 I806 R811 | T805-K809 WeakPolarHBondContact O-CG 3.23Å; T805-K809 PolarHBondContact O-N 2.88Å; I806-K809 PolarHBondContact O-N 2.82Å; K809-R811 VanDerWaalsContact C-N 3.29Å; K809-R811 PolarHBondContact O-N 3.06Å |
| 810 | I | 54.4 | Low | 68.6 | Low | 135 Ų | 135 | 106.3 Ų | 106.3 | 69% | 0.692 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -19.4 | 177.6 | -67.8 | 169.4 | 0 | 0 | 0 | 112.8 | I806 S808 | I806-I810 HydrophobicContact CG2-CD1 3.75Å; I806-I810 WeakPolarHBondContact O-CG1 3.48Å; I806-I810 PolarHBondContact O-N 3.23Å; S808-I810 VanDerWaalsContact C-N 3.29Å; S808-I810 PolarHBondContact O-N 3.03Å |
| 811 | R | 52.6 | Low | 68.8 | Low | 208 Ų | 208 | 109.4 Ų | 109.4 | 79% | 0.785 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -6.5 | -174.5 | -74.4 | 176.4 | 179.7 | -176.6 | 1 | 115.1 | S807 S808 K809 S813 | S807-R811 WeakPolarHBondContact O-CD 3.46Å; S807-R811 WeakPolarHBondContact O-CG 3.45Å; S808-R811 PolarHBondContact O-N 2.76Å; S808-R811 VanDerWaalsContact O-N 3.09Å; K809-R811 VanDerWaalsContact C-N 3.29Å; K809-R811 PolarHBondContact O-N 3.06Å; R811-S813 VanDerWaalsContact C-N 3.27Å; R811-S813 PolarHBondContact O-N 3.16Å |
| 812 | C | 42.8 | Very low | 69.5 | Low | 108 Ų | 108 | 109.5 Ų | 109.5 | 73% | 0.73 | 55% | 0.554 | S | S | * | * | trans | -82.5 | 60.6 | -177.4 | -63.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 813 | S | 54.5 | Low | 70.1 | Confident | 57 Ų | 57 | 109.5 Ų | 109.5 | 40% | 0.399 | 55% | 0.551 | S | S | . | * | trans | -73.2 | 131.4 | 167.6 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | R811 Q817 | R811-S813 VanDerWaalsContact C-N 3.27Å; R811-S813 PolarHBondContact O-N 3.16Å; S813-Q817 VanDerWaalsContact OG-CB 3.26Å; S813-Q817 WeakPolarHBondContact OG-CB 3.49Å; S813-Q817 PolarHBondContact OG-OE1 3.28Å | ||
| 814 | T | 78.6 | Confident | 70.8 | Confident | 73 Ų | 73 | 105.9 Ų | 105.9 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | trans | -68.4 | 153.9 | -178.1 | 56.5 | 0 | 0 | 0 | 0 | 111.5 | S816 Q817 K818 | T814-S816 PolarHBondContact O-N 2.98Å; T814-S816 VanDerWaalsContact O-N 3.15Å; T814-S816 PolarHBondContact OG1-OG 3.18Å; T814-S816 VanDerWaalsContact OG1-OG 3.09Å; T814-Q817 WeakPolarHBondContact O-CB 3.5Å; T814-Q817 PolarHBondContact O-N 3.04Å; T814-Q817 WeakPolarHBondContact OG1-CG 3.46Å; T814-K818 PolarHBondContact O-N 2.95Å | ||
| 815 | E | 77.9 | Confident | 71.5 | Confident | 124 Ų | 124 | 104 Ų | 104 | 58% | 0.579 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.4 | -27.4 | -178.3 | -161.9 | -177 | 122.5 | 0 | 0 | 112.7 | K818 K819 | E815-K818 PolarHBondContact O-N 3.14Å; E815-K819 WeakPolarHBondContact O-CG 3.18Å; E815-K819 PolarHBondContact O-N 3.27Å; E815-K819 WeakPolarHBondContact OE1-CE 3.25Å; E815-K819 IonicContact OE1-NZ 3.13Å; E815-K819 PolarHBondContact OE1-NZ 3.25Å |
| 816 | S | 79.2 | Confident | 72.2 | Confident | 79 Ų | 79 | 105.7 Ų | 105.7 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.2 | -47.2 | 169.9 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | T814 K818 K819 V820 | T814-S816 PolarHBondContact O-N 2.98Å; T814-S816 VanDerWaalsContact O-N 3.15Å; T814-S816 PolarHBondContact OG1-OG 3.18Å; T814-S816 VanDerWaalsContact OG1-OG 3.09Å; S816-K818 VanDerWaalsContact C-N 3.32Å; S816-K818 PolarHBondContact O-N 3.2Å; S816-K819 PolarHBondContact O-N 3.49Å; S816-V820 WeakPolarHBondContact O-CG2 3.48Å; S816-V820 PolarHBondContact O-N 3.23Å |
| 817 | Q | 75 | Confident | 73 | Confident | 105 Ų | 105 | 104.8 Ų | 104.8 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 173.1 | -74.5 | 177.7 | -9.2 | 0 | 0 | 111.9 | S813 T814 K819 V820 M821 | S813-Q817 VanDerWaalsContact OG-CB 3.26Å; S813-Q817 WeakPolarHBondContact OG-CB 3.49Å; S813-Q817 PolarHBondContact OG-OE1 3.28Å; T814-Q817 WeakPolarHBondContact O-CB 3.5Å; T814-Q817 PolarHBondContact O-N 3.04Å; T814-Q817 WeakPolarHBondContact OG1-CG 3.46Å; Q817-K819 PolarHBondContact O-N 3.01Å; Q817-V820 PolarHBondContact O-N 3.18Å; Q817-M821 WeakPolarHBondContact O-CG 3.49Å; Q817-M821 PolarHBondContact O-N 3.02Å |
| 818 | K | 81.5 | Confident | 74.3 | Confident | 130 Ų | 130 | 110.9 Ų | 110.9 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58.5 | -47.7 | 175.4 | -171.2 | -171.9 | 175.5 | -167.9 | 0 | 111.3 | T814 E815 S816 M821 E822 | T814-K818 PolarHBondContact O-N 2.95Å; E815-K818 PolarHBondContact O-N 3.14Å; S816-K818 VanDerWaalsContact C-N 3.32Å; S816-K818 PolarHBondContact O-N 3.2Å; K818-M821 PolarHBondContact O-N 2.85Å; K818-E822 WeakPolarHBondContact O-CB 3.49Å; K818-E822 PolarHBondContact O-N 3.35Å |
| 819 | K | 86.4 | Confident | 75.6 | Confident | 114 Ų | 114 | 114 Ų | 114 | 50% | 0.496 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -40 | 177.1 | -75.4 | 171.9 | -179 | 164.8 | 0 | 112.6 | E815 S816 Q817 E822 Q823 | E815-K819 WeakPolarHBondContact O-CG 3.18Å; E815-K819 PolarHBondContact O-N 3.27Å; E815-K819 WeakPolarHBondContact OE1-CE 3.25Å; E815-K819 IonicContact OE1-NZ 3.13Å; E815-K819 PolarHBondContact OE1-NZ 3.25Å; S816-K819 PolarHBondContact O-N 3.49Å; Q817-K819 PolarHBondContact O-N 3.01Å; K819-E822 PolarHBondContact O-N 2.9Å; K819-Q823 WeakPolarHBondContact O-CG 3.37Å; K819-Q823 PolarHBondContact O-N 3.19Å |
| 820 | V | 83.7 | Confident | 76.9 | Confident | 90 Ų | 90 | 110 Ų | 110 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 174.3 | 173 | 0 | 0 | 0 | 0 | 111.5 | S816 Q817 E822 Q823 L824 | S816-V820 WeakPolarHBondContact O-CG2 3.48Å; S816-V820 PolarHBondContact O-N 3.23Å; Q817-V820 PolarHBondContact O-N 3.18Å; V820-E822 VanDerWaalsContact C-N 3.34Å; V820-E822 PolarHBondContact O-N 2.74Å; V820-Q823 PolarHBondContact O-N 2.9Å; V820-L824 WeakPolarHBondContact O-CB 3.37Å; V820-L824 PolarHBondContact O-N 3.14Å |
| 821 | M | 80.6 | Confident | 78.3 | Confident | 114 Ų | 114 | 107.9 Ų | 107.9 | 56% | 0.562 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 175.4 | -74.1 | -159.7 | -62.4 | 0 | 0 | 112.1 | Q817 K818 L824 L825 | Q817-M821 WeakPolarHBondContact O-CG 3.49Å; Q817-M821 PolarHBondContact O-N 3.02Å; K818-M821 PolarHBondContact O-N 2.85Å; M821-L824 PolarHBondContact O-N 3.03Å; M821-L825 VanDerWaalsContact O-CB 3.3Å; M821-L825 WeakPolarHBondContact O-CB 3.35Å; M821-L825 PolarHBondContact O-N 2.76Å |
| 822 | E | 86.4 | Confident | 79.8 | Confident | 103 Ų | 103 | 101.6 Ų | 101.6 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 177.6 | -174.8 | 168.5 | -177 | 0 | 0 | 111.8 | K818 K819 V820 L824 L825 Q826 | K818-E822 WeakPolarHBondContact O-CB 3.49Å; K818-E822 PolarHBondContact O-N 3.35Å; K819-E822 PolarHBondContact O-N 2.9Å; V820-E822 VanDerWaalsContact C-N 3.34Å; V820-E822 PolarHBondContact O-N 2.74Å; E822-L824 PolarHBondContact O-N 3.02Å; E822-L825 PolarHBondContact O-N 2.95Å; E822-Q826 WeakPolarHBondContact O-CG 3.47Å; E822-Q826 PolarHBondContact O-N 3.07Å |
| 823 | Q | 84.4 | Confident | 81.9 | Confident | 128 Ų | 128 | 101.9 Ų | 101.9 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61 | -43.1 | 172.5 | -74.2 | -179.7 | -9.8 | 0 | 0 | 112.1 | K819 V820 L825 Q826 L827 | K819-Q823 WeakPolarHBondContact O-CG 3.37Å; K819-Q823 PolarHBondContact O-N 3.19Å; V820-Q823 PolarHBondContact O-N 2.9Å; Q823-L825 VanDerWaalsContact C-N 3.25Å; Q823-L825 PolarHBondContact O-N 2.92Å; Q823-Q826 PolarHBondContact O-N 3.4Å; Q823-L827 WeakPolarHBondContact O-CB 3.37Å; Q823-L827 PolarHBondContact O-N 2.95Å |
| 824 | L | 84.3 | Confident | 83.3 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 39% | 0.387 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -35.1 | 176 | -158 | 91.1 | 0 | 0 | 0 | 111.9 | V820 M821 E822 R828 | V820-L824 WeakPolarHBondContact O-CB 3.37Å; V820-L824 PolarHBondContact O-N 3.14Å; M821-L824 PolarHBondContact O-N 3.03Å; E822-L824 PolarHBondContact O-N 3.02Å; L824-R828 WeakPolarHBondContact O-CG 3.46Å; L824-R828 PolarHBondContact O-N 3.22Å |
| 825 | L | 82 | Confident | 83.7 | Confident | 100 Ų | 100 | 101.2 Ų | 101.2 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -78.9 | -33.6 | -179.7 | -156.2 | 144.5 | 0 | 0 | 0 | 111.9 | M821 E822 Q823 R828 K829 | M821-L825 VanDerWaalsContact O-CB 3.3Å; M821-L825 WeakPolarHBondContact O-CB 3.35Å; M821-L825 PolarHBondContact O-N 2.76Å; E822-L825 PolarHBondContact O-N 2.95Å; Q823-L825 VanDerWaalsContact C-N 3.25Å; Q823-L825 PolarHBondContact O-N 2.92Å; L825-R828 PolarHBondContact O-N 3.39Å; L825-K829 HydrophobicContact CD2-CD 4.43Å; L825-K829 WeakPolarHBondContact O-CG 3.43Å; L825-K829 PolarHBondContact O-N 3.05Å |
| 826 | Q | 86 | Confident | 84.1 | Confident | 108 Ų | 108 | 98.8 Ų | 98.8 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 167.2 | -69.9 | -178.9 | 16.9 | 0 | 0 | 111.4 | E822 Q823 R828 K829 V830 | E822-Q826 WeakPolarHBondContact O-CG 3.47Å; E822-Q826 PolarHBondContact O-N 3.07Å; Q823-Q826 PolarHBondContact O-N 3.4Å; Q826-R828 VanDerWaalsContact C-N 3.33Å; Q826-R828 PolarHBondContact O-N 3.05Å; Q826-K829 WeakPolarHBondContact O-CB 3.41Å; Q826-K829 PolarHBondContact O-N 3.48Å; Q826-K829 VanDerWaalsContact O-N 3.15Å; Q826-V830 WeakPolarHBondContact O-CG2 3.41Å; Q826-V830 PolarHBondContact O-N 3Å |
| 827 | L | 84.6 | Confident | 84.4 | Confident | 79 Ų | 79 | 99.3 Ų | 99.3 | 41% | 0.414 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.2 | -45.2 | 172.7 | -84.6 | 161.3 | 0 | 0 | 0 | 111.7 | Q823 V830 H831 I866 | Q823-L827 WeakPolarHBondContact O-CB 3.37Å; Q823-L827 PolarHBondContact O-N 2.95Å; L827-V830 PolarHBondContact O-N 3.22Å; L827-H831 WeakPolarHBondContact O-CB 3.26Å; L827-H831 PolarHBondContact O-N 3.35Å; L827-I866 HydrophobicContact CD2-CD1 4.49Å |
| 828 | R | 87.6 | Confident | 84.5 | Confident | 167 Ų | 167 | 96.2 Ų | 96.2 | 63% | 0.63 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.4 | -43.7 | 173.7 | -77.1 | -178.2 | 179.5 | -167.8 | 1.1 | 112.7 | L824 L825 Q826 V830 H831 C832 | L824-R828 WeakPolarHBondContact O-CG 3.46Å; L824-R828 PolarHBondContact O-N 3.22Å; L825-R828 PolarHBondContact O-N 3.39Å; Q826-R828 VanDerWaalsContact C-N 3.33Å; Q826-R828 PolarHBondContact O-N 3.05Å; R828-V830 PolarHBondContact O-N 3.39Å; R828-H831 PolarHBondContact O-N 3.34Å; R828-C832 PolarHBondContact O-N 2.95Å; R828-C832 PolarHBondContact O-SG 3.36Å |
| 829 | K | 86.9 | Confident | 84.8 | Confident | 132 Ų | 132 | 94.9 Ų | 94.9 | 57% | 0.574 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.5 | -48 | 175.9 | -76.3 | 178.2 | 177.5 | -178 | 0 | 111.7 | L825 Q826 H831 C832 I833 | L825-K829 HydrophobicContact CD2-CD 4.43Å; L825-K829 WeakPolarHBondContact O-CG 3.43Å; L825-K829 PolarHBondContact O-N 3.05Å; Q826-K829 WeakPolarHBondContact O-CB 3.41Å; Q826-K829 PolarHBondContact O-N 3.48Å; Q826-K829 VanDerWaalsContact O-N 3.15Å; K829-H831 VanDerWaalsContact C-N 3.34Å; K829-H831 PolarHBondContact O-N 2.98Å; K829-C832 PolarHBondContact O-N 3.04Å; K829-I833 WeakPolarHBondContact O-CG1 3.42Å; K829-I833 PolarHBondContact O-N 2.88Å |
| 830 | V | 86 | Confident | 84.8 | Confident | 83 Ų | 83 | 97.7 Ų | 97.7 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | Q826 L827 R828 I833 N834 | Q826-V830 WeakPolarHBondContact O-CG2 3.41Å; Q826-V830 PolarHBondContact O-N 3Å; L827-V830 PolarHBondContact O-N 3.22Å; R828-V830 PolarHBondContact O-N 3.39Å; V830-I833 PolarHBondContact O-N 2.79Å; V830-N834 WeakPolarHBondContact O-CB 3.41Å; V830-N834 PolarHBondContact O-N 2.97Å; V830-N834 PolarHBondContact O-ND2 2.77Å |
| 831 | H | 82.7 | Confident | 84.8 | Confident | 89 Ų | 89 | 96.1 Ų | 96.1 | 41% | 0.412 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 176.1 | -169.5 | 60.8 | 0 | 0 | 0 | 112.2 | L827 R828 K829 I833 N834 I835 | L827-H831 WeakPolarHBondContact O-CB 3.26Å; L827-H831 PolarHBondContact O-N 3.35Å; R828-H831 PolarHBondContact O-N 3.34Å; K829-H831 VanDerWaalsContact C-N 3.34Å; K829-H831 PolarHBondContact O-N 2.98Å; H831-I833 PolarHBondContact O-N 2.89Å; H831-N834 PolarHBondContact O-N 3.2Å; H831-I835 WeakPolarHBondContact O-CG1 3.39Å; H831-I835 PolarHBondContact O-N 3.37Å |
| 832 | C | 83.9 | Confident | 84.8 | Confident | 77 Ų | 77 | 98.4 Ų | 98.4 | 52% | 0.52 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.3 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | R828 K829 I835 S836 | R828-C832 PolarHBondContact O-N 2.95Å; R828-C832 PolarHBondContact O-SG 3.36Å; K829-C832 PolarHBondContact O-N 3.04Å; C832-I835 PolarHBondContact O-N 3.01Å; C832-S836 PolarHBondContact O-N 2.94Å; C832-S836 PolarHBondContact O-OG 2.92Å |
| 833 | I | 87.6 | Confident | 84.7 | Confident | 113 Ų | 113 | 102.5 Ų | 102.5 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.3 | -45.4 | 176 | -68.3 | 164.9 | 0 | 0 | 0 | 110.6 | K829 V830 H831 I835 S836 L837 | K829-I833 WeakPolarHBondContact O-CG1 3.42Å; K829-I833 PolarHBondContact O-N 2.88Å; V830-I833 PolarHBondContact O-N 2.79Å; H831-I833 PolarHBondContact O-N 2.89Å; I833-I835 PolarHBondContact O-N 3.31Å; I833-S836 PolarHBondContact O-N 3.13Å; I833-L837 WeakPolarHBondContact O-CB 3.48Å; I833-L837 PolarHBondContact O-N 3.39Å |
| 834 | N | 84.7 | Confident | 84.7 | Confident | 46 Ų | 46 | 99 Ų | 99 | 25% | 0.246 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 177.5 | -76.5 | -35.1 | 0 | 0 | 0 | 112.8 | V830 H831 L838 | V830-N834 WeakPolarHBondContact O-CB 3.41Å; V830-N834 PolarHBondContact O-N 2.97Å; V830-N834 PolarHBondContact O-ND2 2.77Å; H831-N834 PolarHBondContact O-N 3.2Å; N834-L838 VanDerWaalsContact O-CB 3.31Å; N834-L838 WeakPolarHBondContact O-CB 3.38Å; N834-L838 VanDerWaalsContact O-CG 3.31Å; N834-L838 WeakPolarHBondContact O-CG 3.38Å; N834-L838 PolarHBondContact O-N 2.96Å |
| 835 | I | 86.2 | Confident | 84.3 | Confident | 71 Ų | 71 | 98.1 Ų | 98.1 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 174.7 | -72.3 | 168.3 | 0 | 0 | 0 | 110.8 | H831 C832 I833 L837 L838 M839 | H831-I835 WeakPolarHBondContact O-CG1 3.39Å; H831-I835 PolarHBondContact O-N 3.37Å; C832-I835 PolarHBondContact O-N 3.01Å; I833-I835 PolarHBondContact O-N 3.31Å; I835-L837 VanDerWaalsContact C-N 3.35Å; I835-L837 PolarHBondContact O-N 2.99Å; I835-L838 PolarHBondContact O-N 2.95Å; I835-M839 WeakPolarHBondContact O-CG 3.44Å; I835-M839 PolarHBondContact O-N 3.41Å |
| 836 | S | 86.6 | Confident | 83.8 | Confident | 72 Ų | 72 | 99.6 Ų | 99.6 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.8 | -66.6 | 0 | 0 | 0 | 0 | 112 | C832 I833 M839 W840 | C832-S836 PolarHBondContact O-N 2.94Å; C832-S836 PolarHBondContact O-OG 2.92Å; I833-S836 PolarHBondContact O-N 3.13Å; S836-M839 PolarHBondContact O-N 3.25Å; S836-W840 WeakPolarHBondContact O-CB 3.42Å; S836-W840 PolarHBondContact O-N 3.49Å |
| 837 | L | 85.4 | Confident | 83.2 | Confident | 91 Ų | 91 | 99.7 Ų | 99.7 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 175.2 | -170.7 | 70.3 | 0 | 0 | 0 | 112 | I833 I835 W840 L841 | I833-L837 WeakPolarHBondContact O-CB 3.48Å; I833-L837 PolarHBondContact O-N 3.39Å; I835-L837 VanDerWaalsContact C-N 3.35Å; I835-L837 PolarHBondContact O-N 2.99Å; L837-W840 PolarHBondContact O-N 2.86Å; L837-L841 HydrophobicContact CG-CD1 4.28Å; L837-L841 WeakPolarHBondContact O-CB 3.27Å; L837-L841 WeakPolarHBondContact O-CG 3.21Å; L837-L841 PolarHBondContact O-N 3.21Å |
| 838 | L | 78.1 | Confident | 82.5 | Confident | 39 Ų | 39 | 99.5 Ų | 99.5 | 20% | 0.204 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 175.4 | -82.8 | 167.5 | 0 | 0 | 0 | 112.6 | N834 I835 K842 L856 L859 | N834-L838 VanDerWaalsContact O-CB 3.31Å; N834-L838 WeakPolarHBondContact O-CB 3.38Å; N834-L838 VanDerWaalsContact O-CG 3.31Å; N834-L838 WeakPolarHBondContact O-CG 3.38Å; N834-L838 PolarHBondContact O-N 2.96Å; I835-L838 PolarHBondContact O-N 2.95Å; L838-K842 VanDerWaalsContact O-CB 3.27Å; L838-K842 WeakPolarHBondContact O-CB 3.49Å; L838-K842 PolarHBondContact O-N 3.04Å; L838-L856 HydrophobicContact CD1-CD2 3.84Å; L838-L856 HydrophobicContact CD2-CD2 3.81Å; L838-L856 HydrophobicContact CD2-CG 4.25Å; L838-L856 HydrophobicContact CG-CD2 4.49Å; L838-L859 HydrophobicContact CD1-CD1 4.2Å |
| 839 | M | 86 | Confident | 82.2 | Confident | 102 Ų | 102 | 94.4 Ų | 94.4 | 50% | 0.502 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -45.3 | 172.7 | -69.8 | -157.9 | -61 | 0 | 0 | 110.9 | I835 S836 L841 K842 Y843 | I835-M839 WeakPolarHBondContact O-CG 3.44Å; I835-M839 PolarHBondContact O-N 3.41Å; S836-M839 PolarHBondContact O-N 3.25Å; M839-L841 PolarHBondContact O-N 2.89Å; M839-K842 PolarHBondContact O-N 2.87Å; M839-Y843 WeakPolarHBondContact O-CD2 3.28Å; M839-Y843 PolarHBondContact O-N 2.93Å |
| 840 | W | 88.1 | Confident | 82.1 | Confident | 173 Ų | 173 | 94.2 Ų | 94.2 | 66% | 0.655 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.3 | -48.5 | 177 | -174.1 | 83 | 0 | 0 | 0 | 111.8 | S836 L837 K842 Y843 A844 | S836-W840 WeakPolarHBondContact O-CB 3.42Å; S836-W840 PolarHBondContact O-N 3.49Å; L837-W840 PolarHBondContact O-N 2.86Å; W840-K842 VanDerWaalsContact C-N 3.35Å; W840-K842 PolarHBondContact O-N 3.25Å; W840-Y843 PolarHBondContact O-N 3.43Å; W840-A844 WeakPolarHBondContact O-CB 3.44Å; W840-A844 PolarHBondContact O-N 3.48Å |
| 841 | L | 82.2 | Confident | 82 | Confident | 58 Ų | 58 | 99.3 Ų | 99.3 | 30% | 0.304 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 174.7 | -74.4 | 168.4 | 0 | 0 | 0 | 112.4 | L837 M839 Y843 A844 T845 | L837-L841 HydrophobicContact CG-CD1 4.28Å; L837-L841 WeakPolarHBondContact O-CB 3.27Å; L837-L841 WeakPolarHBondContact O-CG 3.21Å; L837-L841 PolarHBondContact O-N 3.21Å; M839-L841 PolarHBondContact O-N 2.89Å; L841-Y843 VanDerWaalsContact C-N 3.28Å; L841-Y843 PolarHBondContact O-N 3.04Å; L841-A844 PolarHBondContact O-N 3.44Å; L841-T845 PolarHBondContact O-N 3.43Å; L841-T845 VanDerWaalsContact O-N 3.13Å; L841-T845 PolarHBondContact O-OG1 3.32Å; L841-T845 VanDerWaalsContact O-OG1 3.05Å |
| 842 | K | 81.3 | Confident | 82.2 | Confident | 161 Ų | 161 | 97 Ų | 97 | 70% | 0.7 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -30.8 | 178.1 | -175.2 | 179.9 | 176.5 | -173 | 0 | 113.1 | L838 M839 W840 | L838-K842 VanDerWaalsContact O-CB 3.27Å; L838-K842 WeakPolarHBondContact O-CB 3.49Å; L838-K842 PolarHBondContact O-N 3.04Å; M839-K842 PolarHBondContact O-N 2.87Å; W840-K842 VanDerWaalsContact C-N 3.35Å; W840-K842 PolarHBondContact O-N 3.25Å |
| 843 | Y | 83.6 | Confident | 82.2 | Confident | 190 Ų | 190 | 100.2 Ų | 100.2 | 75% | 0.745 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -90.6 | -24.7 | 175.3 | -69.7 | -64.1 | 0 | 0 | 0 | 113.5 | M839 W840 L841 | M839-Y843 WeakPolarHBondContact O-CD2 3.28Å; M839-Y843 PolarHBondContact O-N 2.93Å; W840-Y843 PolarHBondContact O-N 3.43Å; L841-Y843 VanDerWaalsContact C-N 3.28Å; L841-Y843 PolarHBondContact O-N 3.04Å |
| 844 | A | 85.1 | Confident | 82.2 | Confident | 55 Ų | 55 | 100.8 Ų | 100.8 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -80.4 | -25.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | W840 L841 | W840-A844 WeakPolarHBondContact O-CB 3.44Å; W840-A844 PolarHBondContact O-N 3.48Å; L841-A844 PolarHBondContact O-N 3.44Å |
| 845 | T | 75.5 | Confident | 82.4 | Confident | 55 Ų | 55 | 104 Ų | 104 | 34% | 0.337 | 52% | 0.519 | S | S | . | . | trans | -116.5 | 119.4 | 179.1 | 60 | 0 | 0 | 0 | 0 | 111.9 | L841 T847 | L841-T845 PolarHBondContact O-N 3.43Å; L841-T845 VanDerWaalsContact O-N 3.13Å; L841-T845 PolarHBondContact O-OG1 3.32Å; L841-T845 VanDerWaalsContact O-OG1 3.05Å; T845-T847 PolarHBondContact O-N 3.13Å | ||
| 846 | P | 72.8 | Confident | 82.3 | Confident | 130 Ų | 130 | 104 Ų | 104 | 84% | 0.844 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -71.6 | -11.7 | -178 | 29.4 | -35.7 | 0 | 0 | 0 | 113.9 | ||
| 847 | T | 72.4 | Confident | 82.4 | Confident | 110 Ų | 110 | 105.2 Ų | 105.2 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -127.2 | 115.1 | 172.6 | 45.2 | 0 | 0 | 0 | 0 | 110.1 | T845 S849 | T845-T847 PolarHBondContact O-N 3.13Å; T847-S849 PolarHBondContact O-N 2.92Å; T847-S849 VanDerWaalsContact O-N 3.08Å |
| 848 | P | 70.8 | Confident | 82.6 | Confident | 75 Ų | 75 | 105.5 Ų | 105.5 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | trans | -70.7 | 107.3 | 178.7 | 27.3 | -33.2 | 0 | 0 | 0 | 110.4 | Y853 | P848-Y853 HydrophobicContact CB-CE2 3.81Å; P848-Y853 HydrophobicContact CG-CE2 3.84Å | ||
| 849 | S | 80.2 | Confident | 83 | Confident | 60 Ų | 60 | 105.5 Ų | 105.5 | 42% | 0.42 | 52% | 0.517 | S | S | . | . | trans | -56.9 | 146.2 | 178.3 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | T847 Y851 I852 | T847-S849 PolarHBondContact O-N 2.92Å; T847-S849 VanDerWaalsContact O-N 3.08Å; S849-Y851 PolarHBondContact O-N 3.42Å; S849-Y851 VanDerWaalsContact O-N 3.09Å; S849-I852 WeakPolarHBondContact O-CA 3.21Å; S849-I852 WeakPolarHBondContact O-CB 3.39Å; S849-I852 PolarHBondContact O-N 3.29Å | ||
| 850 | I | 85.3 | Confident | 83.2 | Confident | 128 Ų | 128 | 107.6 Ų | 107.6 | 66% | 0.656 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -53.9 | -33.1 | 177.8 | -64.5 | 173.4 | 0 | 0 | 0 | 111.4 | I852 Y853 M854 | I850-I852 VanDerWaalsContact C-N 3.29Å; I850-I852 PolarHBondContact O-N 3.11Å; I850-Y853 PolarHBondContact O-N 2.84Å; I850-M854 HydrophobicContact CG2-CG 4.42Å; I850-M854 HydrophobicContact CG2-SD 4.42Å; I850-M854 PolarHBondContact O-N 3.04Å |
| 851 | Y | 83.9 | Confident | 83.3 | Confident | 191 Ų | 191 | 104.5 Ų | 104.5 | 75% | 0.749 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.2 | -34.1 | 174.4 | -70.4 | -81.3 | 0 | 0 | 0 | 113.3 | S849 Y855 | S849-Y851 PolarHBondContact O-N 3.42Å; S849-Y851 VanDerWaalsContact O-N 3.09Å; Y851-Y855 VanDerWaalsContact O-CB 3.28Å; Y851-Y855 WeakPolarHBondContact O-CB 3.29Å; Y851-Y855 PolarHBondContact O-N 3.48Å |
| 852 | I | 85.7 | Confident | 83.7 | Confident | 39 Ų | 39 | 107.1 Ų | 107.1 | 20% | 0.2 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -68.1 | -41.7 | 176 | -56.9 | 176.7 | 0 | 0 | 0 | 109.9 | S849 I850 Y855 L856 | S849-I852 WeakPolarHBondContact O-CA 3.21Å; S849-I852 WeakPolarHBondContact O-CB 3.39Å; S849-I852 PolarHBondContact O-N 3.29Å; I850-I852 VanDerWaalsContact C-N 3.29Å; I850-I852 PolarHBondContact O-N 3.11Å; I852-Y855 PolarHBondContact O-N 2.82Å; I852-L856 HydrophobicContact CG2-CD1 4.09Å; I852-L856 HydrophobicContact CG2-CG 4.49Å; I852-L856 WeakPolarHBondContact O-CB 3.33Å; I852-L856 VanDerWaalsContact O-CG 3.31Å; I852-L856 WeakPolarHBondContact O-CG 3.42Å; I852-L856 PolarHBondContact O-N 3.12Å |
| 853 | Y | 84.8 | Confident | 83.9 | Confident | 145 Ų | 145 | 103.3 Ų | 103.3 | 57% | 0.569 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -42.5 | 175.1 | -78.4 | -80.3 | 0 | 0 | 0 | 112.7 | P848 I850 Y855 L856 Q857 | P848-Y853 HydrophobicContact CB-CE2 3.81Å; P848-Y853 HydrophobicContact CG-CE2 3.84Å; I850-Y853 PolarHBondContact O-N 2.84Å; Y853-Y855 VanDerWaalsContact C-N 3.34Å; Y853-Y855 PolarHBondContact O-N 3.05Å; Y853-L856 PolarHBondContact O-N 2.96Å; Y853-Q857 WeakPolarHBondContact O-CB 3.37Å; Y853-Q857 PolarHBondContact O-N 3.3Å |
| 854 | M | 88.3 | Confident | 84.3 | Confident | 125 Ų | 125 | 100.6 Ų | 100.6 | 62% | 0.616 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -40 | 174.7 | -69.7 | -174.4 | 70.9 | 0 | 0 | 112 | I850 Q857 Q858 | I850-M854 HydrophobicContact CG2-CG 4.42Å; I850-M854 HydrophobicContact CG2-SD 4.42Å; I850-M854 PolarHBondContact O-N 3.04Å; M854-Q857 PolarHBondContact O-N 2.97Å; M854-Q858 PolarHBondContact O-N 2.9Å |
| 855 | Y | 88.4 | Confident | 84.5 | Confident | 114 Ų | 114 | 100.9 Ų | 100.9 | 45% | 0.447 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 176.7 | -172.1 | -113.8 | 0 | 0 | 0 | 112.3 | Y851 I852 Y853 Q857 Q858 L859 | Y851-Y855 VanDerWaalsContact O-CB 3.28Å; Y851-Y855 WeakPolarHBondContact O-CB 3.29Å; Y851-Y855 PolarHBondContact O-N 3.48Å; I852-Y855 PolarHBondContact O-N 2.82Å; Y853-Y855 VanDerWaalsContact C-N 3.34Å; Y853-Y855 PolarHBondContact O-N 3.05Å; Y855-Q857 PolarHBondContact O-N 3.33Å; Y855-Q858 PolarHBondContact O-N 3.29Å; Y855-L859 HydrophobicContact CD1-CD1 3.86Å; Y855-L859 HydrophobicContact CD1-CG 4.43Å; Y855-L859 HydrophobicContact CE1-CD1 3.52Å; Y855-L859 HydrophobicContact CE1-CG 4.16Å; Y855-L859 WeakPolarHBondContact O-CB 3.37Å; Y855-L859 WeakPolarHBondContact O-CG 3.37Å; Y855-L859 PolarHBondContact O-N 3.47Å |
| 856 | L | 84.2 | Confident | 85 | Confident | 72 Ų | 72 | 101.9 Ų | 101.9 | 38% | 0.377 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 172.6 | -80.3 | 167.9 | 0 | 0 | 0 | 112.2 | L838 I852 Y853 L859 K860 | L838-L856 HydrophobicContact CD1-CD2 3.84Å; L838-L856 HydrophobicContact CD2-CD2 3.81Å; L838-L856 HydrophobicContact CD2-CG 4.25Å; L838-L856 HydrophobicContact CG-CD2 4.49Å; I852-L856 HydrophobicContact CG2-CD1 4.09Å; I852-L856 HydrophobicContact CG2-CG 4.49Å; I852-L856 WeakPolarHBondContact O-CB 3.33Å; I852-L856 VanDerWaalsContact O-CG 3.31Å; I852-L856 WeakPolarHBondContact O-CG 3.42Å; I852-L856 PolarHBondContact O-N 3.12Å; Y853-L856 PolarHBondContact O-N 2.96Å; L856-L859 PolarHBondContact O-N 3.25Å; L856-K860 WeakPolarHBondContact O-CB 3.43Å; L856-K860 PolarHBondContact O-N 2.99Å |
| 857 | Q | 88.4 | Confident | 85.7 | Confident | 97 Ų | 97 | 100.1 Ų | 100.1 | 45% | 0.453 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 176.4 | -178.2 | 61.9 | 22.5 | 0 | 0 | 111.2 | Y853 M854 Y855 L859 K860 E861 | Y853-Q857 WeakPolarHBondContact O-CB 3.37Å; Y853-Q857 PolarHBondContact O-N 3.3Å; M854-Q857 PolarHBondContact O-N 2.97Å; Y855-Q857 PolarHBondContact O-N 3.33Å; Q857-L859 VanDerWaalsContact C-N 3.33Å; Q857-L859 PolarHBondContact O-N 3Å; Q857-K860 PolarHBondContact O-N 3.5Å; Q857-K860 VanDerWaalsContact O-N 3.16Å; Q857-E861 WeakPolarHBondContact CG-OE1 3.34Å; Q857-E861 PolarHBondContact NE2-OE1 3.45Å; Q857-E861 WeakPolarHBondContact O-CG 3.5Å; Q857-E861 PolarHBondContact O-N 3.46Å |
| 858 | Q | 89.9 | Confident | 86.5 | Confident | 96 Ų | 96 | 97.6 Ų | 97.6 | 45% | 0.449 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.3 | -35.3 | 177.7 | -164.9 | -173 | 60.8 | 0 | 0 | 112.6 | M854 Y855 K862 | M854-Q858 PolarHBondContact O-N 2.9Å; Y855-Q858 PolarHBondContact O-N 3.29Å; Q858-K862 WeakPolarHBondContact O-CB 3.25Å; Q858-K862 WeakPolarHBondContact O-CG 3.49Å; Q858-K862 PolarHBondContact O-N 2.91Å |
| 859 | L | 86.6 | Confident | 87.4 | Confident | 40 Ų | 40 | 97.4 Ų | 97.4 | 21% | 0.209 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 172.6 | -77.9 | 176.8 | 0 | 0 | 0 | 111.8 | L838 Y855 L856 Q857 K862 Q863 | L838-L859 HydrophobicContact CD1-CD1 4.2Å; Y855-L859 HydrophobicContact CD1-CD1 3.86Å; Y855-L859 HydrophobicContact CD1-CG 4.43Å; Y855-L859 HydrophobicContact CE1-CD1 3.52Å; Y855-L859 HydrophobicContact CE1-CG 4.16Å; Y855-L859 WeakPolarHBondContact O-CB 3.37Å; Y855-L859 WeakPolarHBondContact O-CG 3.37Å; Y855-L859 PolarHBondContact O-N 3.47Å; L856-L859 PolarHBondContact O-N 3.25Å; Q857-L859 VanDerWaalsContact C-N 3.33Å; Q857-L859 PolarHBondContact O-N 3Å; L859-K862 PolarHBondContact O-N 3.03Å; L859-Q863 WeakPolarHBondContact O-CB 3.33Å; L859-Q863 PolarHBondContact O-N 3.47Å |
| 860 | K | 89.8 | Confident | 87.7 | Confident | 146 Ų | 146 | 97.6 Ų | 97.6 | 64% | 0.635 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.5 | -39.1 | 177.3 | -170.8 | 177.5 | -178.6 | -179.1 | 0 | 112.1 | L856 Q857 Q863 K864 | L856-K860 WeakPolarHBondContact O-CB 3.43Å; L856-K860 PolarHBondContact O-N 2.99Å; Q857-K860 PolarHBondContact O-N 3.5Å; Q857-K860 VanDerWaalsContact O-N 3.16Å; K860-Q863 PolarHBondContact O-N 3.32Å; K860-K864 PolarHBondContact O-N 2.91Å |
| 861 | E | 91.1 | Very high | 87.4 | Confident | 107 Ų | 107 | 96.7 Ų | 96.7 | 50% | 0.5 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 174.3 | -73 | 166.2 | -170.5 | 0 | 0 | 111.9 | Q857 K864 A865 | Q857-E861 WeakPolarHBondContact CG-OE1 3.34Å; Q857-E861 PolarHBondContact NE2-OE1 3.45Å; Q857-E861 WeakPolarHBondContact O-CG 3.5Å; Q857-E861 PolarHBondContact O-N 3.46Å; E861-K864 PolarHBondContact O-N 2.86Å; E861-A865 WeakPolarHBondContact O-CB 3.42Å; E861-A865 PolarHBondContact O-N 3.31Å |
| 862 | K | 90.9 | Very high | 87.4 | Confident | 113 Ų | 113 | 93.3 Ų | 93.3 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 173.2 | -76.6 | 173.4 | 176.9 | 172.6 | 0 | 112.4 | Q858 L859 A865 I866 | Q858-K862 WeakPolarHBondContact O-CB 3.25Å; Q858-K862 WeakPolarHBondContact O-CG 3.49Å; Q858-K862 PolarHBondContact O-N 2.91Å; L859-K862 PolarHBondContact O-N 3.03Å; K862-A865 PolarHBondContact O-N 3.12Å; K862-I866 WeakPolarHBondContact O-CG1 3.41Å; K862-I866 PolarHBondContact O-N 3.42Å |
| 863 | Q | 85.1 | Confident | 87 | Confident | 82 Ų | 82 | 95.3 Ų | 95.3 | 38% | 0.383 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -50.8 | 174.6 | 176.4 | 173.1 | -10.2 | 0 | 0 | 110.6 | L859 K860 A865 I866 E867 | L859-Q863 WeakPolarHBondContact O-CB 3.33Å; L859-Q863 PolarHBondContact O-N 3.47Å; K860-Q863 PolarHBondContact O-N 3.32Å; Q863-A865 VanDerWaalsContact C-N 3.27Å; Q863-A865 PolarHBondContact O-N 3.48Å; Q863-I866 PolarHBondContact O-N 2.93Å; Q863-I866 VanDerWaalsContact O-N 3.11Å; Q863-E867 HydrophobicContact CG-CG 4.34Å; Q863-E867 VanDerWaalsContact CG-OE1 3.29Å; Q863-E867 WeakPolarHBondContact CG-OE1 3.4Å; Q863-E867 PolarHBondContact NE2-OE1 3.42Å; Q863-E867 WeakPolarHBondContact O-CG 3.34Å; Q863-E867 PolarHBondContact O-N 3.44Å |
| 864 | K | 90.8 | Very high | 86.5 | Confident | 133 Ų | 133 | 95.2 Ų | 95.2 | 58% | 0.578 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57.9 | -39.7 | 176.7 | -174.6 | 179.5 | 177.4 | -176.2 | 0 | 112.1 | K860 E861 E867 D868 | K860-K864 PolarHBondContact O-N 2.91Å; E861-K864 PolarHBondContact O-N 2.86Å; K864-E867 PolarHBondContact O-N 3.24Å; K864-D868 VanDerWaalsContact O-CB 3.28Å; K864-D868 WeakPolarHBondContact O-CB 3.5Å; K864-D868 PolarHBondContact O-N 3.46Å |
| 865 | A | 89.9 | Confident | 85.7 | Confident | 60 Ų | 60 | 93.2 Ų | 93.2 | 50% | 0.496 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | E861 K862 Q863 A869 | E861-A865 WeakPolarHBondContact O-CB 3.42Å; E861-A865 PolarHBondContact O-N 3.31Å; K862-A865 PolarHBondContact O-N 3.12Å; Q863-A865 VanDerWaalsContact C-N 3.27Å; Q863-A865 PolarHBondContact O-N 3.48Å; A865-A869 WeakPolarHBondContact O-CB 3.48Å; A865-A869 PolarHBondContact O-N 3.11Å |
| 866 | I | 86.6 | Confident | 84.7 | Confident | 76 Ų | 76 | 93.5 Ų | 93.5 | 39% | 0.39 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72 | -42.5 | 175.6 | -68.1 | 165.1 | 0 | 0 | 0 | 110.9 | L827 K862 Q863 A869 I870 | L827-I866 HydrophobicContact CD2-CD1 4.49Å; K862-I866 WeakPolarHBondContact O-CG1 3.41Å; K862-I866 PolarHBondContact O-N 3.42Å; Q863-I866 PolarHBondContact O-N 2.93Å; Q863-I866 VanDerWaalsContact O-N 3.11Å; I866-A869 PolarHBondContact O-N 2.86Å; I866-I870 HydrophobicContact CG2-CD1 3.74Å; I866-I870 WeakPolarHBondContact O-CB 3.47Å; I866-I870 WeakPolarHBondContact O-CG1 3.47Å; I866-I870 PolarHBondContact O-N 3.41Å |
| 867 | E | 87.5 | Confident | 83.3 | Confident | 93 Ų | 93 | 98.3 Ų | 98.3 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 175.1 | -72.9 | 170.7 | 178.4 | 0 | 0 | 111.2 | Q863 K864 A869 I870 L871 | Q863-E867 HydrophobicContact CG-CG 4.34Å; Q863-E867 VanDerWaalsContact CG-OE1 3.29Å; Q863-E867 WeakPolarHBondContact CG-OE1 3.4Å; Q863-E867 PolarHBondContact NE2-OE1 3.42Å; Q863-E867 WeakPolarHBondContact O-CG 3.34Å; Q863-E867 PolarHBondContact O-N 3.44Å; K864-E867 PolarHBondContact O-N 3.24Å; E867-A869 PolarHBondContact O-N 3.19Å; E867-I870 PolarHBondContact O-N 3.13Å; E867-L871 HydrophobicContact CB-CD1 4.43Å; E867-L871 WeakPolarHBondContact O-CB 3.47Å; E867-L871 WeakPolarHBondContact O-CD1 3.46Å; E867-L871 PolarHBondContact O-N 2.97Å |
| 868 | D | 88.8 | Confident | 81.6 | Confident | 58 Ų | 58 | 102.5 Ų | 102.5 | 31% | 0.31 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 173 | -92.1 | -5 | 0 | 0 | 0 | 111.8 | K864 I870 K872 | K864-D868 VanDerWaalsContact O-CB 3.28Å; K864-D868 WeakPolarHBondContact O-CB 3.5Å; K864-D868 PolarHBondContact O-N 3.46Å; D868-I870 VanDerWaalsContact C-N 3.32Å; D868-I870 PolarHBondContact O-N 3.02Å; D868-K872 HydrophobicContact CB-CD 4.03Å; D868-K872 VanDerWaalsContact CG-CE 3.42Å; D868-K872 WeakPolarHBondContact O-CB 3.49Å; D868-K872 VanDerWaalsContact O-CG 3.3Å; D868-K872 WeakPolarHBondContact O-CG 3.4Å; D868-K872 PolarHBondContact O-N 3.11Å; D868-K872 WeakPolarHBondContact OD1-CE 3.41Å; D868-K872 IonicContact OD1-NZ 3.67Å; D868-K872 PolarHBondContact OD1-NZ 3.39Å; D868-K872 IonicContact OD2-NZ 2.8Å; D868-K872 PolarHBondContact OD2-NZ 3.47Å |
| 869 | A | 89 | Confident | 80.1 | Confident | 70 Ų | 70 | 104 Ų | 104 | 58% | 0.579 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.9 | -28.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A865 I866 E867 P873 | A865-A869 WeakPolarHBondContact O-CB 3.48Å; A865-A869 PolarHBondContact O-N 3.11Å; I866-A869 PolarHBondContact O-N 2.86Å; E867-A869 PolarHBondContact O-N 3.19Å; A869-P873 WeakPolarHBondContact O-CD 3.48Å; A869-P873 VanDerWaalsContact O-CG 3.32Å; A869-P873 WeakPolarHBondContact O-CG 3.47Å |
| 870 | I | 86.2 | Confident | 78.6 | Confident | 65 Ų | 65 | 107.6 Ų | 107.6 | 33% | 0.333 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -94.8 | -46.6 | -178.7 | -64.3 | 173.7 | 0 | 0 | 0 | 111.7 | I866 E867 D868 P873 M874 | I866-I870 HydrophobicContact CG2-CD1 3.74Å; I866-I870 WeakPolarHBondContact O-CB 3.47Å; I866-I870 WeakPolarHBondContact O-CG1 3.47Å; I866-I870 PolarHBondContact O-N 3.41Å; E867-I870 PolarHBondContact O-N 3.13Å; D868-I870 VanDerWaalsContact C-N 3.32Å; D868-I870 PolarHBondContact O-N 3.02Å; I870-P873 WeakPolarHBondContact O-CG 3.47Å; I870-M874 WeakPolarHBondContact O-CG 3.34Å |
| 871 | L | 80.8 | Confident | 76.7 | Confident | 108 Ų | 108 | 105.8 Ų | 105.8 | 57% | 0.565 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -80.3 | -35.5 | -173.9 | -78.2 | 82.5 | 0 | 0 | 0 | 113.3 | E867 M874 A875 | E867-L871 HydrophobicContact CB-CD1 4.43Å; E867-L871 WeakPolarHBondContact O-CB 3.47Å; E867-L871 WeakPolarHBondContact O-CD1 3.46Å; E867-L871 PolarHBondContact O-N 2.97Å; L871-M874 PolarHBondContact O-N 3.16Å; L871-A875 PolarHBondContact O-N 2.91Å |
| 872 | K | 82 | Confident | 74.6 | Confident | 121 Ų | 121 | 109.5 Ų | 109.5 | 53% | 0.526 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.7 | -46.9 | -179.2 | -69.3 | 176.2 | 167.3 | 168.2 | 0 | 113.6 | D868 M874 A875 V876 | D868-K872 HydrophobicContact CB-CD 4.03Å; D868-K872 VanDerWaalsContact CG-CE 3.42Å; D868-K872 WeakPolarHBondContact O-CB 3.49Å; D868-K872 VanDerWaalsContact O-CG 3.3Å; D868-K872 WeakPolarHBondContact O-CG 3.4Å; D868-K872 PolarHBondContact O-N 3.11Å; D868-K872 WeakPolarHBondContact OD1-CE 3.41Å; D868-K872 IonicContact OD1-NZ 3.67Å; D868-K872 PolarHBondContact OD1-NZ 3.39Å; D868-K872 IonicContact OD2-NZ 2.8Å; D868-K872 PolarHBondContact OD2-NZ 3.47Å; K872-M874 VanDerWaalsContact C-N 3.32Å; K872-M874 PolarHBondContact O-N 3.32Å; K872-A875 PolarHBondContact O-N 3.12Å; K872-V876 WeakPolarHBondContact O-CG2 3.47Å |
| 873 | P | 79.1 | Confident | 72.7 | Confident | 80 Ų | 80 | 108.2 Ų | 108.2 | 52% | 0.519 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.6 | -32.9 | 176 | 24.3 | -33.1 | 0 | 0 | 0 | 112.9 | A869 I870 V876 | A869-P873 WeakPolarHBondContact O-CD 3.48Å; A869-P873 VanDerWaalsContact O-CG 3.32Å; A869-P873 WeakPolarHBondContact O-CG 3.47Å; I870-P873 WeakPolarHBondContact O-CG 3.47Å; P873-V876 PolarHBondContact O-N 3.2Å |
| 874 | M | 73.4 | Confident | 70.9 | Confident | 143 Ų | 143 | 109.4 Ų | 109.4 | 70% | 0.704 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.2 | -35.2 | 175.2 | -68.9 | -171.5 | 70.9 | 0 | 0 | 112.7 | I870 L871 K872 V876 | I870-M874 WeakPolarHBondContact O-CG 3.34Å; L871-M874 PolarHBondContact O-N 3.16Å; K872-M874 VanDerWaalsContact C-N 3.32Å; K872-M874 PolarHBondContact O-N 3.32Å; M874-V876 VanDerWaalsContact C-N 3.27Å; M874-V876 PolarHBondContact O-N 3.04Å |
| 875 | A | 70.9 | Confident | 68.9 | Low | 84 Ų | 84 | 106.4 Ų | 106.4 | 69% | 0.694 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.3 | -17.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L871 K872 | L871-A875 PolarHBondContact O-N 2.91Å; K872-A875 PolarHBondContact O-N 3.12Å |
| 876 | V | 68.7 | Low | 67.3 | Low | 120 Ų | 120 | 112 Ų | 112 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -85.8 | -20 | -177.6 | 174.1 | 0 | 0 | 0 | 0 | 112.7 | K872 P873 M874 K878 | K872-V876 WeakPolarHBondContact O-CG2 3.47Å; P873-V876 PolarHBondContact O-N 3.2Å; M874-V876 VanDerWaalsContact C-N 3.27Å; M874-V876 PolarHBondContact O-N 3.04Å; V876-K878 VanDerWaalsContact C-N 3.29Å; V876-K878 PolarHBondContact O-N 2.83Å |
| 877 | Q | 53.6 | Low | 65.9 | Low | 172 Ų | 172 | 111.9 Ų | 111.9 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -75.4 | 77.5 | 172.9 | -76.3 | -167.9 | -29.4 | 0 | 0 | 111.9 | ||||
| 878 | K | 52.6 | Low | 63.9 | Low | 185 Ų | 185 | 119.9 Ų | 119.9 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -60 | 133.2 | 155.4 | -76.4 | -174.2 | 176.2 | -179.1 | 0 | 108.6 | V876 S880 | V876-K878 VanDerWaalsContact C-N 3.29Å; V876-K878 PolarHBondContact O-N 2.83Å; K878-S880 PolarHBondContact O-N 3.37Å; K878-S880 VanDerWaalsContact O-N 3.13Å | ||
| 879 | P | 57.8 | Low | 62.6 | Low | 128 Ų | 128 | 123 Ų | 123 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | trans | -66.3 | 113.4 | 170.7 | 27.3 | -32.5 | 0 | 0 | 0 | 109.2 | ||||
| 880 | S | 55.6 | Low | 61.3 | Low | 116 Ų | 116 | 125.7 Ų | 125.7 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 134.7 | 170.2 | 49 | 0 | 0 | 0 | 0 | 109.8 | K878 | K878-S880 PolarHBondContact O-N 3.37Å; K878-S880 VanDerWaalsContact O-N 3.13Å |
| 881 | S | 49.9 | Very low | 59.9 | Low | 107 Ų | 107 | 129.1 Ų | 129.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 138.2 | -170.3 | 48.8 | 0 | 0 | 0 | 0 | 114.2 | A883 | S881-A883 PolarHBondContact O-N 3.01Š|
| 882 | L | 48.3 | Very low | 58.6 | Low | 185 Ų | 185 | 130.4 Ų | 130.4 | 97% | 0.969 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 119.2 | 156.5 | -78.1 | 145.5 | 0 | 0 | 0 | 109.4 | ||
| 883 | A | 50.2 | Low | 57.2 | Low | 86 Ų | 86 | 130.9 Ų | 130.9 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -153.6 | 151.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | S881 | S881-A883 PolarHBondContact O-N 3.01Š| ||
| 884 | A | 47.3 | Very low | 55.7 | Low | 107 Ų | 107 | 134.3 Ų | 134.3 | 88% | 0.884 | 83% | 0.833 | S | S | * | * | trans | 53.8 | 73 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 885 | G | 49.3 | Very low | 54.4 | Low | 71 Ų | 71 | 133.7 Ų | 133.7 | 73% | 0.732 | 84% | 0.842 | S | S | * | * | trans | -96.3 | 119.4 | 144.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 886 | N | 55.7 | Low | 53.2 | Low | 176 Ų | 176 | 137.5 Ų | 137.5 | 94% | 0.941 | 85% | 0.854 | S | S | * | * | trans | -171.2 | 119.3 | 168.1 | -103.4 | -15 | 0 | 0 | 0 | 109 | ||||
| 887 | G | 56.5 | Low | 51.9 | Low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 86% | 0.864 | S | S | * | * | trans | 138.9 | 99.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 888 | L | 46 | Very low | 51.7 | Low | 260 Ų | 260 | 136 Ų | 136 | 100% | 1.361 | 87% | 0.87 | S | S | * | * | trans | 69 | 0 | 179.6 | -61.7 | 167.2 | 0 | 0 | 0 | 115.6 |
Retrieved 888 of 888 residues in 816.3 ms
(Link to these results)