| 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 | 37.8 | Very low | 50 | Low | 250 Ų | 250 | 133.5 Ų | 133.5 | 100% | 1.232 | 81% | 0.811 | S | S | * | * | 0 | 134.6 | 0 | -73.8 | 166.8 | 161.2 | 0 | 0 | 107.9 | |||||
| 2 | A | 45.8 | Very low | 50.4 | Low | 102 Ų | 102 | 127.8 Ų | 127.8 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -145.8 | 95.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3 | T | 47.7 | Very low | 51.6 | Low | 143 Ų | 143 | 124.7 Ų | 124.7 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -98.4 | 83.2 | 178.2 | 48.3 | 0 | 0 | 0 | 0 | 109.4 | G5 | T3-G5 PolarHBondContact O-N 3.44Š| ||
| 4 | G | 46.2 | Very low | 53.2 | Low | 74 Ų | 74 | 126.1 Ų | 126.1 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | trans | -68.3 | 92.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | F6 | G4-F6 PolarHBondContact O-N 3.37Š| ||
| 5 | G | 47.8 | Very low | 55.3 | Low | 69 Ų | 69 | 124.7 Ų | 124.7 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | -72.6 | 93.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T3 K7 | T3-G5 PolarHBondContact O-N 3.44Å; G5-K7 PolarHBondContact O-N 2.68Å | ||
| 6 | F | 47 | Very low | 57.2 | Low | 209 Ų | 209 | 125.5 Ų | 125.5 | 92% | 0.917 | 73% | 0.734 | S | S | * | * | trans | -60.1 | 108.1 | 164.4 | -95.3 | -97.2 | 0 | 0 | 0 | 109.3 | G4 S8 | G4-F6 PolarHBondContact O-N 3.37Å; F6-S8 PolarHBondContact O-N 3.15Å | ||
| 7 | K | 58.5 | Low | 59.1 | Low | 202 Ų | 202 | 124.8 Ų | 124.8 | 88% | 0.878 | 72% | 0.722 | S | S | * | * | trans | -70.8 | 112.2 | 168.3 | -69 | -173 | 176.4 | -173 | 0 | 108.4 | G5 N9 | G5-K7 PolarHBondContact O-N 2.68Å; K7-N9 PolarHBondContact O-N 3.33Å; K7-N9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | S | 51.9 | Low | 60.9 | Low | 108 Ų | 108 | 125.1 Ų | 125.1 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | -62.6 | 110.2 | 169.8 | 52.9 | 0 | 0 | 0 | 0 | 109.4 | F6 A10 | F6-S8 PolarHBondContact O-N 3.15Å; S8-A10 PolarHBondContact O-N 2.8Å; S8-A10 VanDerWaalsContact O-N 3.07Å | ||
| 9 | N | 54.3 | Low | 62.7 | Low | 143 Ų | 143 | 125 Ų | 125 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | trans | -67.9 | 105.8 | 176 | -168.5 | -26.3 | 0 | 0 | 0 | 108.4 | K7 | K7-N9 PolarHBondContact O-N 3.33Å; K7-N9 VanDerWaalsContact O-N 3.13Å | ||
| 10 | A | 58.8 | Low | 64.2 | Low | 44 Ų | 44 | 121.7 Ų | 121.7 | 36% | 0.364 | 69% | 0.689 | S | S | . | * | trans | -104.5 | 149.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S8 A12 D13 | S8-A10 PolarHBondContact O-N 2.8Å; S8-A10 VanDerWaalsContact O-N 3.07Å; A10-A12 PolarHBondContact O-N 2.88Å; A10-D13 VanDerWaalsContact O-CB 3.27Å; A10-D13 WeakPolarHBondContact O-CB 3.28Å; A10-D13 PolarHBondContact O-N 3.5Å | ||
| 11 | P | 54.7 | Low | 65.6 | Low | 125 Ų | 125 | 122.3 Ų | 122.3 | 81% | 0.812 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -64.1 | -6.4 | -175.8 | 25.5 | -35.1 | 0 | 0 | 0 | 115.2 | ||
| 12 | A | 53.9 | Low | 68.3 | Low | 64 Ų | 64 | 116.9 Ų | 116.9 | 53% | 0.529 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67.4 | -35.7 | 167 | 0 | 0 | 0 | 0 | 0 | 112.6 | A10 F14 L15 E16 | A10-A12 PolarHBondContact O-N 2.88Å; A12-F14 VanDerWaalsContact C-N 3.34Å; A12-F14 PolarHBondContact O-N 3.38Å; A12-L15 PolarHBondContact O-N 3.18Å; A12-E16 PolarHBondContact O-N 2.83Å |
| 13 | D | 66.5 | Low | 70.6 | Confident | 88 Ų | 88 | 116.4 Ų | 116.4 | 47% | 0.471 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -60.5 | -41.4 | -174.6 | -153 | -6.3 | 0 | 0 | 0 | 110.8 | A10 L15 E16 E17 | A10-D13 VanDerWaalsContact O-CB 3.27Å; A10-D13 WeakPolarHBondContact O-CB 3.28Å; A10-D13 PolarHBondContact O-N 3.5Å; D13-L15 PolarHBondContact O-N 2.75Å; D13-E16 PolarHBondContact O-N 2.86Å; D13-E17 VanDerWaalsContact O-CB 3.29Å; D13-E17 WeakPolarHBondContact O-CB 3.32Å; D13-E17 PolarHBondContact O-N 3.39Å |
| 14 | F | 73.6 | Confident | 72.7 | Confident | 145 Ų | 145 | 117.4 Ų | 117.4 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.8 | -37.8 | 174.8 | -179.9 | -101.6 | 0 | 0 | 0 | 113.6 | A12 W18 | A12-F14 VanDerWaalsContact C-N 3.34Å; A12-F14 PolarHBondContact O-N 3.38Å; F14-W18 VanDerWaalsContact O-CB 3.26Å; F14-W18 WeakPolarHBondContact O-CB 3.5Å; F14-W18 PolarHBondContact O-N 2.88Å |
| 15 | L | 85.2 | Confident | 75 | Confident | 104 Ų | 104 | 119.2 Ų | 119.2 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.6 | -32.2 | 179.2 | -153.8 | 88 | 0 | 0 | 0 | 111.4 | A12 D13 K19 | A12-L15 PolarHBondContact O-N 3.18Å; D13-L15 PolarHBondContact O-N 2.75Å; L15-K19 VanDerWaalsContact O-CG 3.31Å; L15-K19 WeakPolarHBondContact O-CG 3.47Å; L15-K19 PolarHBondContact O-N 2.78Å; L15-K19 VanDerWaalsContact O-N 3.12Å |
| 16 | E | 86.3 | Confident | 77.1 | Confident | 138 Ų | 138 | 122 Ų | 122 | 65% | 0.645 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.7 | -42.6 | 175.9 | -167.4 | 153.4 | -147.2 | 0 | 0 | 111.4 | A12 D13 W18 K19 A20 | A12-E16 PolarHBondContact O-N 2.83Å; D13-E16 PolarHBondContact O-N 2.86Å; E16-W18 PolarHBondContact O-N 2.86Å; E16-K19 PolarHBondContact O-N 2.92Å; E16-A20 WeakPolarHBondContact O-CB 3.48Å; E16-A20 PolarHBondContact O-N 3.14Å |
| 17 | E | 88.5 | Confident | 78.9 | Confident | 114 Ų | 114 | 114.8 Ų | 114.8 | 53% | 0.533 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58.1 | -45.3 | 169.5 | -168.2 | -161.4 | 163.3 | 0 | 0 | 110.9 | D13 K19 A20 K21 | D13-E17 VanDerWaalsContact O-CB 3.29Å; D13-E17 WeakPolarHBondContact O-CB 3.32Å; D13-E17 PolarHBondContact O-N 3.39Å; E17-K19 PolarHBondContact O-N 3.15Å; E17-A20 CarbonylContact O-C 3.54Å; E17-A20 PolarHBondContact O-N 2.97Å; E17-K21 VanDerWaalsContact O-CB 3.22Å; E17-K21 WeakPolarHBondContact O-CB 3.12Å; E17-K21 PolarHBondContact O-N 3.17Å |
| 18 | W | 92.6 | Very high | 80.4 | Confident | 130 Ų | 130 | 111.2 Ų | 111.2 | 49% | 0.492 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.7 | -39.6 | 179.3 | -171.3 | 89 | 0 | 0 | 0 | 112.4 | F14 E16 K21 R22 | F14-W18 VanDerWaalsContact O-CB 3.26Å; F14-W18 WeakPolarHBondContact O-CB 3.5Å; F14-W18 PolarHBondContact O-N 2.88Å; E16-W18 PolarHBondContact O-N 2.86Å; W18-K21 PolarHBondContact O-N 3.15Å; W18-R22 WeakPolarHBondContact O-CB 3.35Å; W18-R22 PolarHBondContact O-N 3.01Å |
| 19 | K | 94.6 | Very high | 82.1 | Confident | 123 Ų | 123 | 111.7 Ų | 111.7 | 54% | 0.535 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.9 | -48.8 | 169.7 | -76.7 | 173 | -179.5 | 180 | 0 | 111.2 | L15 E16 E17 K21 R22 E23 | L15-K19 VanDerWaalsContact O-CG 3.31Å; L15-K19 WeakPolarHBondContact O-CG 3.47Å; L15-K19 PolarHBondContact O-N 2.78Å; L15-K19 VanDerWaalsContact O-N 3.12Å; E16-K19 PolarHBondContact O-N 2.92Å; E17-K19 PolarHBondContact O-N 3.15Å; K19-K21 VanDerWaalsContact C-N 3.3Å; K19-K21 PolarHBondContact O-N 3.37Å; K19-R22 WeakPolarHBondContact O-CB 3.48Å; K19-R22 PolarHBondContact O-N 3.05Å; K19-E23 WeakPolarHBondContact O-CB 3.34Å; K19-E23 PolarHBondContact O-N 2.92Å |
| 20 | A | 92.6 | Very high | 83.4 | Confident | 59 Ų | 59 | 110 Ų | 110 | 49% | 0.488 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.2 | -35.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E16 E17 E23 K24 | E16-A20 WeakPolarHBondContact O-CB 3.48Å; E16-A20 PolarHBondContact O-N 3.14Å; E17-A20 CarbonylContact O-C 3.54Å; E17-A20 PolarHBondContact O-N 2.97Å; A20-E23 PolarHBondContact O-N 2.89Å; A20-K24 WeakPolarHBondContact O-CB 3.37Å; A20-K24 PolarHBondContact O-N 2.94Å |
| 21 | K | 93.8 | Very high | 84.2 | Confident | 134 Ų | 134 | 109.3 Ų | 109.3 | 58% | 0.583 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69 | -41.3 | 176.3 | -171 | 172.1 | -176.4 | 172.8 | 0 | 111.8 | E17 W18 K19 M25 | E17-K21 VanDerWaalsContact O-CB 3.22Å; E17-K21 WeakPolarHBondContact O-CB 3.12Å; E17-K21 PolarHBondContact O-N 3.17Å; W18-K21 PolarHBondContact O-N 3.15Å; K19-K21 VanDerWaalsContact C-N 3.3Å; K19-K21 PolarHBondContact O-N 3.37Å; K21-M25 WeakPolarHBondContact O-CG 3.27Å; K21-M25 PolarHBondContact O-N 3.13Å; K21-M25 VanDerWaalsContact O-N 3.09Å |
| 22 | R | 94.4 | Very high | 85.2 | Confident | 136 Ų | 136 | 106.4 Ų | 106.4 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 170 | 172.9 | -174.3 | -81.9 | -174.1 | -12.9 | 111.1 | W18 K19 K24 M25 R26 | W18-R22 WeakPolarHBondContact O-CB 3.35Å; W18-R22 PolarHBondContact O-N 3.01Å; K19-R22 WeakPolarHBondContact O-CB 3.48Å; K19-R22 PolarHBondContact O-N 3.05Å; R22-K24 PolarHBondContact O-N 2.85Å; R22-M25 WeakPolarHBondContact O-CB 3.42Å; R22-M25 PolarHBondContact O-N 3.07Å; R22-R26 PolarHBondContact O-N 2.99Å |
| 23 | E | 93.2 | Very high | 86.1 | Confident | 93 Ų | 93 | 107.9 Ų | 107.9 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | -178.2 | -153.4 | 59.2 | -115.1 | 0 | 0 | 111.7 | K19 A20 M25 R26 A27 | K19-E23 WeakPolarHBondContact O-CB 3.34Å; K19-E23 PolarHBondContact O-N 2.92Å; A20-E23 PolarHBondContact O-N 2.89Å; E23-M25 VanDerWaalsContact C-N 3.31Å; E23-M25 PolarHBondContact O-N 3.42Å; E23-R26 PolarHBondContact O-N 3.35Å; E23-R26 WeakPolarHBondContact OE1-CD 3.38Å; E23-R26 IonicContact OE1-CZ 3.89Å; E23-R26 IonicContact OE1-NE 2.67Å; E23-R26 IonicContact OE1-NH1 2.76Å; E23-R26 PolarHBondContact OE1-NH1 3.19Å; E23-R26 IonicContact OE2-CZ 2.75Å; E23-R26 IonicContact OE2-NH1 3.91Å; E23-R26 PolarHBondContact OE2-NH1 3.22Å; E23-A27 WeakPolarHBondContact O-CB 3.39Å; E23-A27 PolarHBondContact O-N 3.35Å |
| 24 | K | 92.4 | Very high | 86.1 | Confident | 164 Ų | 164 | 105 Ų | 105 | 71% | 0.713 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -36.5 | 172.7 | -178.6 | 172.1 | -178.5 | 176.2 | 0 | 112.6 | A20 R22 K28 | A20-K24 WeakPolarHBondContact O-CB 3.37Å; A20-K24 PolarHBondContact O-N 2.94Å; R22-K24 PolarHBondContact O-N 2.85Å; K24-K28 VanDerWaalsContact O-CB 3.28Å; K24-K28 WeakPolarHBondContact O-CB 3.46Å; K24-K28 PolarHBondContact O-N 2.87Å |
| 25 | M | 94 | Very high | 85.6 | Confident | 111 Ų | 111 | 105.6 Ų | 105.6 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -45 | 172 | -76.3 | -66.7 | -68.3 | 0 | 0 | 111.6 | K21 R22 E23 K28 M29 | K21-M25 WeakPolarHBondContact O-CG 3.27Å; K21-M25 PolarHBondContact O-N 3.13Å; K21-M25 VanDerWaalsContact O-N 3.09Å; R22-M25 WeakPolarHBondContact O-CB 3.42Å; R22-M25 PolarHBondContact O-N 3.07Å; E23-M25 VanDerWaalsContact C-N 3.31Å; E23-M25 PolarHBondContact O-N 3.42Å; M25-K28 PolarHBondContact O-N 2.99Å; M25-M29 WeakPolarHBondContact O-CG 3.42Å; M25-M29 PolarHBondContact O-N 2.98Å |
| 26 | R | 91.9 | Very high | 84.9 | Confident | 127 Ų | 127 | 104.8 Ų | 104.8 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 177.3 | -166.9 | -173 | -70.5 | 137.7 | -12.7 | 111.7 | R22 E23 K28 M29 L30 | R22-R26 PolarHBondContact O-N 2.99Å; E23-R26 PolarHBondContact O-N 3.35Å; E23-R26 WeakPolarHBondContact OE1-CD 3.38Å; E23-R26 IonicContact OE1-CZ 3.89Å; E23-R26 IonicContact OE1-NE 2.67Å; E23-R26 IonicContact OE1-NH1 2.76Å; E23-R26 PolarHBondContact OE1-NH1 3.19Å; E23-R26 IonicContact OE2-CZ 2.75Å; E23-R26 IonicContact OE2-NH1 3.91Å; E23-R26 PolarHBondContact OE2-NH1 3.22Å; R26-K28 PolarHBondContact O-N 3.4Å; R26-M29 PolarHBondContact O-N 3.4Å; R26-L30 HydrophobicContact CG-CD1 4.25Å; R26-L30 WeakPolarHBondContact O-CG 3.47Å; R26-L30 PolarHBondContact O-N 3.4Å |
| 27 | A | 86.3 | Confident | 84 | Confident | 58 Ų | 58 | 102.8 Ų | 102.8 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E23 G31 | E23-A27 WeakPolarHBondContact O-CB 3.39Å; E23-A27 PolarHBondContact O-N 3.35Å; A27-G31 PolarHBondContact O-N 3.47Å |
| 28 | K | 89.4 | Confident | 82.5 | Confident | 127 Ų | 127 | 100.3 Ų | 100.3 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.9 | -50.1 | 171.6 | -175.9 | -168.8 | 170.5 | -164.2 | 0 | 110.8 | K24 M25 R26 L30 G31 D32 | K24-K28 VanDerWaalsContact O-CB 3.28Å; K24-K28 WeakPolarHBondContact O-CB 3.46Å; K24-K28 PolarHBondContact O-N 2.87Å; M25-K28 PolarHBondContact O-N 2.99Å; R26-K28 PolarHBondContact O-N 3.4Å; K28-L30 PolarHBondContact O-N 2.96Å; K28-G31 PolarHBondContact O-N 2.67Å; K28-D32 WeakPolarHBondContact CE-OD2 3.48Å; K28-D32 WeakPolarHBondContact CG-OD2 3.43Å; K28-D32 WeakPolarHBondContact O-CB 3.44Å; K28-D32 PolarHBondContact O-N 3.37Å |
| 29 | M | 86.7 | Confident | 80.6 | Confident | 118 Ų | 118 | 97.9 Ų | 97.9 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.4 | -45.3 | 179.5 | -70.9 | 178.3 | 71.2 | 0 | 0 | 111.6 | M25 R26 G31 D32 I33 | M25-M29 WeakPolarHBondContact O-CG 3.42Å; M25-M29 PolarHBondContact O-N 2.98Å; R26-M29 PolarHBondContact O-N 3.4Å; M29-G31 VanDerWaalsContact C-N 3.34Å; M29-G31 PolarHBondContact O-N 2.82Å; M29-D32 PolarHBondContact O-N 3.15Å; M29-I33 WeakPolarHBondContact O-CB 3.48Å; M29-I33 WeakPolarHBondContact O-CD1 3.18Å; M29-I33 WeakPolarHBondContact O-CG1 3.29Å; M29-I33 PolarHBondContact O-N 2.83Å |
| 30 | L | 81.3 | Confident | 78.3 | Confident | 107 Ų | 107 | 97.8 Ų | 97.8 | 56% | 0.56 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.9 | -42 | 174.5 | -71.7 | 167.5 | 0 | 0 | 0 | 112.2 | R26 K28 A34 | R26-L30 HydrophobicContact CG-CD1 4.25Å; R26-L30 WeakPolarHBondContact O-CG 3.47Å; R26-L30 PolarHBondContact O-N 3.4Å; K28-L30 PolarHBondContact O-N 2.96Å; L30-A34 WeakPolarHBondContact O-CB 3.35Å; L30-A34 PolarHBondContact O-N 3.35Å |
| 31 | G | 77.2 | Confident | 76.3 | Confident | 30 Ų | 30 | 101.7 Ų | 101.7 | 31% | 0.309 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.3 | -32.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | A27 K28 M29 K35 | A27-G31 PolarHBondContact O-N 3.47Å; K28-G31 PolarHBondContact O-N 2.67Å; M29-G31 VanDerWaalsContact C-N 3.34Å; M29-G31 PolarHBondContact O-N 2.82Å; G31-K35 WeakPolarHBondContact O-CD 3.47Å; G31-K35 WeakPolarHBondContact O-CE 3.42Å; G31-K35 VanDerWaalsContact O-CG 3.25Å; G31-K35 WeakPolarHBondContact O-CG 3.42Å; G31-K35 PolarHBondContact O-N 2.93Å |
| 32 | D | 75.8 | Confident | 74.1 | Confident | 64 Ų | 64 | 102.6 Ų | 102.6 | 34% | 0.342 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -79.8 | -32.6 | 176.1 | -68.5 | -22.5 | 0 | 0 | 0 | 111.6 | K28 M29 K35 A36 | K28-D32 WeakPolarHBondContact CE-OD2 3.48Å; K28-D32 WeakPolarHBondContact CG-OD2 3.43Å; K28-D32 WeakPolarHBondContact O-CB 3.44Å; K28-D32 PolarHBondContact O-N 3.37Å; M29-D32 PolarHBondContact O-N 3.15Å; D32-K35 IonicContact OD1-NZ 2.68Å; D32-K35 PolarHBondContact OD1-NZ 3.03Å; D32-A36 PolarHBondContact O-N 3.05Å; D32-A36 VanDerWaalsContact O-N 3.14Å |
| 33 | I | 71.1 | Confident | 71.8 | Confident | 96 Ų | 96 | 101.5 Ų | 101.5 | 49% | 0.492 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.4 | -49 | 167.7 | -70.6 | 163 | 0 | 0 | 0 | 110.6 | M29 K35 A36 T37 | M29-I33 WeakPolarHBondContact O-CB 3.48Å; M29-I33 WeakPolarHBondContact O-CD1 3.18Å; M29-I33 WeakPolarHBondContact O-CG1 3.29Å; M29-I33 PolarHBondContact O-N 2.83Å; I33-K35 VanDerWaalsContact C-N 3.27Å; I33-K35 PolarHBondContact O-N 2.87Å; I33-A36 WeakPolarHBondContact O-CA 3.46Å; I33-A36 WeakPolarHBondContact O-CB 3.17Å; I33-A36 PolarHBondContact O-N 2.8Å; I33-T37 PolarHBondContact O-N 2.81Å; I33-T37 PolarHBondContact O-OG1 3.4Å |
| 34 | A | 66.4 | Low | 69.2 | Low | 27 Ų | 27 | 102 Ų | 102 | 22% | 0.223 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -61.7 | -33.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L30 G38 V39 | L30-A34 WeakPolarHBondContact O-CB 3.35Å; L30-A34 PolarHBondContact O-N 3.35Å; A34-G38 PolarHBondContact O-N 3.27Å; A34-V39 PolarHBondContact O-N 3.44Å |
| 35 | K | 64.9 | Low | 66.7 | Low | 157 Ų | 157 | 99.9 Ų | 99.9 | 68% | 0.683 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.9 | -36 | 170.5 | -70 | 165.9 | -157.1 | 160.8 | 0 | 112.6 | G31 D32 I33 | G31-K35 WeakPolarHBondContact O-CD 3.47Å; G31-K35 WeakPolarHBondContact O-CE 3.42Å; G31-K35 VanDerWaalsContact O-CG 3.25Å; G31-K35 WeakPolarHBondContact O-CG 3.42Å; G31-K35 PolarHBondContact O-N 2.93Å; D32-K35 IonicContact OD1-NZ 2.68Å; D32-K35 PolarHBondContact OD1-NZ 3.03Å; I33-K35 VanDerWaalsContact C-N 3.27Å; I33-K35 PolarHBondContact O-N 2.87Å |
| 36 | A | 70.3 | Confident | 64 | Low | 88 Ų | 88 | 99.2 Ų | 99.2 | 73% | 0.727 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76 | -34.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | D32 I33 | D32-A36 PolarHBondContact O-N 3.05Å; D32-A36 VanDerWaalsContact O-N 3.14Å; I33-A36 WeakPolarHBondContact O-CA 3.46Å; I33-A36 WeakPolarHBondContact O-CB 3.17Å; I33-A36 PolarHBondContact O-N 2.8Å |
| 37 | T | 66.1 | Low | 61.2 | Low | 95 Ų | 95 | 100.4 Ų | 100.4 | 58% | 0.583 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -89.8 | -12.8 | 176.8 | 56.5 | 0 | 0 | 0 | 0 | 114 | I33 V39 | I33-T37 PolarHBondContact O-N 2.81Å; I33-T37 PolarHBondContact O-OG1 3.4Å; T37-V39 PolarHBondContact O-N 3.06Å |
| 38 | G | 56.8 | Low | 58.5 | Low | 62 Ų | 62 | 103.7 Ų | 103.7 | 64% | 0.639 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.4 | 11.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A34 P40 | A34-G38 PolarHBondContact O-N 3.27Å; G38-P40 WeakPolarHBondContact O-CD 3.3Å |
| 39 | V | 54.5 | Low | 55.9 | Low | 79 Ų | 79 | 104.8 Ų | 104.8 | 48% | 0.479 | 65% | 0.652 | S | S | . | * | trans | -92.9 | 113.8 | -178.2 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | A34 T37 L41 | A34-V39 PolarHBondContact O-N 3.44Å; T37-V39 PolarHBondContact O-N 3.06Å; V39-L41 HydrophobicContact CG1-CD2 4.37Å; V39-L41 HydrophobicContact CG1-CG 4.49Å; V39-L41 PolarHBondContact O-N 3.08Å | ||
| 40 | P | 45.2 | Very low | 53.3 | Low | 121 Ų | 121 | 104.6 Ų | 104.6 | 79% | 0.786 | 66% | 0.662 | S | S | * | * | trans | -79.9 | 87.3 | -178.1 | 32.3 | -34.8 | 0 | 0 | 0 | 111.6 | G38 N42 | G38-P40 WeakPolarHBondContact O-CD 3.3Å; P40-N42 PolarHBondContact O-N 2.91Å | ||
| 41 | L | 51.2 | Low | 51.1 | Low | 142 Ų | 142 | 107.2 Ų | 107.2 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | trans | -74.1 | 113 | 167.9 | -65.3 | -179.6 | 0 | 0 | 0 | 110 | V39 P43 | V39-L41 HydrophobicContact CG1-CD2 4.37Å; V39-L41 HydrophobicContact CG1-CG 4.49Å; V39-L41 PolarHBondContact O-N 3.08Å; L41-P43 WeakPolarHBondContact O-CD 3.49Å | ||
| 42 | N | 47.3 | Very low | 48.9 | Very low | 152 Ų | 152 | 111.3 Ų | 111.3 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | trans | -83.9 | 114.6 | -175.5 | -171.2 | 30.1 | 0 | 0 | 0 | 111.1 | P40 A44 | P40-N42 PolarHBondContact O-N 2.91Å; N42-A44 PolarHBondContact O-N 3.22Å; N42-A44 VanDerWaalsContact O-N 3.13Å | ||
| 43 | P | 46.9 | Very low | 46.9 | Very low | 113 Ų | 113 | 119 Ų | 119 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -75.7 | 104.7 | -176.8 | 30 | -33.7 | 0 | 0 | 0 | 111.2 | L41 S45 | L41-P43 WeakPolarHBondContact O-CD 3.49Å; P43-S45 PolarHBondContact O-N 3.25Å | ||
| 44 | A | 38.6 | Very low | 45.1 | Very low | 104 Ų | 104 | 122.5 Ų | 122.5 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | trans | -67.9 | 96.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N42 | N42-A44 PolarHBondContact O-N 3.22Å; N42-A44 VanDerWaalsContact O-N 3.13Å | ||
| 45 | S | 38 | Very low | 43.4 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -76.2 | 131.4 | 175.4 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | P43 | P43-S45 PolarHBondContact O-N 3.25Š| ||
| 46 | S | 37.6 | Very low | 41.9 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -73.5 | 144.4 | 178.8 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 47 | N | 34.1 | Very low | 41.2 | Very low | 153 Ų | 153 | 124 Ų | 124 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 67.7 | 105.8 | 162.5 | -63.7 | -10.5 | 0 | 0 | 0 | 119.2 | ||||
| 48 | S | 30.3 | Very low | 40.4 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -154.8 | 132.8 | 136.6 | -80.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 49 | T | 33 | Very low | 39.1 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | trans | -101.3 | 119.1 | -172.3 | -57.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 50 | S | 33.3 | Very low | 38.2 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -158.2 | 143.3 | 159.3 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 51 | N | 34.7 | Very low | 37.5 | Very low | 162 Ų | 162 | 129 Ų | 129 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -82.8 | 141 | 176.3 | -76.9 | -43.1 | 0 | 0 | 0 | 111.4 | ||||
| 52 | S | 31.7 | Very low | 36.7 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | -175.6 | 111.6 | 125.1 | -83.5 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 53 | R | 32.7 | Very low | 35.9 | Very low | 227 Ų | 227 | 126.6 Ų | 126.6 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | 27.8 | 125.2 | 127.9 | -66.8 | -176.7 | 178.8 | -163.8 | -1.1 | 121.2 | |||||
| 54 | L | 34.6 | Very low | 35.1 | Very low | 169 Ų | 169 | 127.2 Ų | 127.2 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | 70 | 132.6 | 135.8 | -59.1 | 167 | 0 | 0 | 0 | 120.5 | ||||
| 55 | G | 29.8 | Very low | 34.9 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | 133.8 | 130.6 | 146.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 56 | A | 33.4 | Very low | 35.8 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -165.3 | 167.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 57 | P | 55.8 | Low | 35.5 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | cis | -106.1 | -118.2 | -20.3 | 23.5 | 1.4 | 0 | 0 | 0 | 107.6 | ||||
| 58 | P | 49.9 | Very low | 35.7 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | cis | -134.3 | -178.7 | -29.1 | 41.4 | -23.4 | 0 | 0 | 0 | 116 | ||||
| 59 | G | 29.4 | Very low | 36 | Very low | 58 Ų | 58 | 133.8 Ų | 133.8 | 60% | 0.598 | 79% | 0.792 | S | S | * | * | trans | 144.3 | 106.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 60 | T | 33.8 | Very low | 36.1 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | 59.3 | 135.8 | 73.4 | 78.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 61 | E | 32.1 | Very low | 36.2 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | cis | -125.3 | 150.1 | 28.1 | -60.8 | -66.6 | 119.9 | 0 | 0 | 111.5 | ||||
| 62 | L | 33.7 | Very low | 36.3 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | 46.6 | 136.1 | 87.6 | -65.6 | 163.9 | 0 | 0 | 0 | 115.1 | |||||
| 63 | C | 30.1 | Very low | 36.3 | Very low | 98 Ų | 98 | 127 Ų | 127 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | cis | -161.6 | 166.1 | 29.7 | -132.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 64 | T | 30.7 | Very low | 36.6 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 54.4 | 112.6 | 151.4 | 52.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 65 | N | 35.2 | Very low | 36.4 | Very low | 157 Ų | 157 | 120.5 Ų | 120.5 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -76.5 | 168.9 | 137.4 | -83.2 | -45.7 | 0 | 0 | 0 | 109.9 | ||||
| 66 | P | 55.1 | Low | 36.8 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | cis | -134.1 | -164 | 36.2 | 40.1 | -17.4 | 0 | 0 | 0 | 113.6 | ||||
| 67 | D | 31.6 | Very low | 36.7 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | -162.5 | 176.9 | 20 | -159.6 | -4.2 | 0 | 0 | 0 | 112.4 | ||||
| 68 | R | 38.6 | Very low | 35.7 | Very low | 214 Ų | 214 | 126.9 Ų | 126.9 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | 76.3 | 88.9 | 158.8 | -66.2 | -176.7 | 169.8 | -156.1 | -7 | 121.5 | ||||
| 69 | S | 37.5 | Very low | 34.9 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | 40.3 | 111.3 | 112.8 | -53.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 70 | A | 34.2 | Very low | 35.2 | Very low | 103 Ų | 103 | 128.6 Ų | 128.6 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | 85.5 | 155.1 | 118.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 71 | S | 36.1 | Very low | 35.7 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | 96.5 | 132.4 | 160.7 | -155.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 72 | A | 35.9 | Very low | 36.4 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -61.8 | 167.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 73 | G | 31.6 | Very low | 36.9 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 150.1 | 95.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 74 | N | 39.4 | Very low | 37.2 | Very low | 153 Ų | 153 | 126 Ų | 126 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 46.1 | 112.8 | 132.9 | -74.5 | 25.8 | 0 | 0 | 0 | 123.3 | ||||
| 75 | C | 31.7 | Very low | 37.6 | Very low | 107 Ų | 107 | 131 Ų | 131 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | 90.9 | 153.4 | 120.6 | -62.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 76 | R | 36.6 | Very low | 37.8 | Very low | 227 Ų | 227 | 129.2 Ų | 129.2 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | 83.3 | 141.1 | 161.7 | -54.8 | -161.5 | 142.1 | -144.6 | -7.5 | 116.5 | ||||
| 77 | T | 31.2 | Very low | 37.3 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | cis | -162.8 | 150.9 | -6.6 | 9.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 78 | S | 35.3 | Very low | 37.8 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | 68.2 | 138.3 | 141.1 | -57.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 79 | S | 34.2 | Very low | 37.6 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | 64.2 | 148.3 | 152.8 | 55.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 80 | S | 34.9 | Very low | 37.2 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | cis | -164.3 | 149.4 | -16.9 | 45.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 81 | S | 43.6 | Very low | 37.2 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -72.9 | 150.2 | 176.3 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 82 | P | 48.4 | Very low | 37.3 | Very low | 123 Ų | 123 | 124 Ų | 124 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -117.3 | 132.6 | 150 | 34.7 | -25.3 | 0 | 0 | 0 | 112.2 | ||||
| 83 | V | 43.7 | Very low | 37.4 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | trans | -88.1 | 133.4 | 167.4 | 173.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 84 | A | 36.3 | Very low | 37.3 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -85.6 | 129.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 85 | R | 38.4 | Very low | 37 | Very low | 232 Ų | 232 | 131.7 Ų | 131.7 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | -115.3 | 135.4 | 172.7 | -71.3 | 174 | 64.2 | -164.3 | 1.6 | 110 | ||||
| 86 | S | 39.8 | Very low | 37 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -70 | 142.3 | 172.8 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 87 | P | 45.6 | Very low | 36.6 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -95.5 | 156.2 | 166.9 | 36.1 | -31.9 | 0 | 0 | 0 | 112 | ||||
| 88 | S | 40.1 | Very low | 36.7 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -151.5 | 148.7 | 168.3 | -72.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 89 | G | 34.8 | Very low | 36.6 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | 102.8 | 129 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 90 | G | 30.6 | Very low | 36.7 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -173.8 | 122.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 91 | T | 34.1 | Very low | 36.7 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -110.7 | 151.6 | -163.6 | 52.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 92 | L | 38.1 | Very low | 36.2 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | 42.8 | 121.3 | 144.3 | -69.4 | 167 | 0 | 0 | 0 | 119.6 | ||||
| 93 | N | 37.3 | Very low | 35.5 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | -145.5 | 157.6 | 142 | -97 | -55.6 | 0 | 0 | 0 | 110.9 | ||||
| 94 | R | 29.8 | Very low | 35.6 | Very low | 224 Ų | 224 | 136.2 Ų | 136.2 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -139.3 | 164.8 | -172.1 | 168.7 | 178 | 170 | -173.8 | -3.1 | 109.6 | ||||
| 95 | A | 32.3 | Very low | 36.2 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 91.3 | 144.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 96 | E | 32 | Very low | 35.9 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -161.6 | 170.5 | -8.6 | -106.6 | -77.6 | 131.7 | 0 | 0 | 108.7 | ||||
| 97 | G | 29 | Very low | 35.6 | Very low | 53 Ų | 53 | 133.6 Ų | 133.6 | 55% | 0.546 | 78% | 0.781 | S | S | . | * | trans | 102.4 | 106.4 | 171 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 98 | S | 32.3 | Very low | 35 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | 77.8 | 135.5 | 76.6 | 78.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 99 | N | 32.8 | Very low | 34.7 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | cis | -163.3 | 150.6 | 5.5 | -129.6 | -26.5 | 0 | 0 | 0 | 113.2 | ||||
| 100 | L | 36.1 | Very low | 34.7 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | 40 | 113.6 | 146.5 | -70.8 | 163.8 | 0 | 0 | 0 | 122.1 | ||||
| 101 | K | 35.8 | Very low | 34.7 | Very low | 195 Ų | 195 | 149.5 Ų | 149.5 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | 171.2 | 135.7 | 103.5 | -98.5 | 152.2 | -174.8 | 170.4 | 0 | 118.2 | |||||
| 102 | K | 33.1 | Very low | 34.4 | Very low | 212 Ų | 212 | 149.5 Ų | 149.5 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | trans | 73.2 | 158.7 | 142.6 | -148.2 | 159.2 | -175.8 | 175.9 | 0 | 118.8 | ||||
| 103 | A | 33.3 | Very low | 34.1 | Very low | 84 Ų | 84 | 147.1 Ų | 147.1 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | trans | -139.1 | -153.6 | -165.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 104 | P | 46.5 | Very low | 33.9 | Very low | 120 Ų | 120 | 144 Ų | 144 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | -96.7 | -159 | -117.3 | 41.3 | -23.8 | 0 | 0 | 0 | 112.2 | |||||
| 105 | P | 48.9 | Very low | 34.8 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | cis | -140.7 | -129.2 | 7.9 | 44.5 | -21.3 | 0 | 0 | 0 | 114.5 | ||||
| 106 | Q | 32.2 | Very low | 34.7 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | trans | 89.5 | 105 | -173.9 | -49.5 | -81.4 | -21.9 | 0 | 0 | 111.6 | ||||
| 107 | M | 33.5 | Very low | 34.8 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | cis | 86.2 | 120 | 41.4 | 98 | 173 | 66.1 | 0 | 0 | 114.8 | ||||
| 108 | E | 32.2 | Very low | 35.2 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -164.3 | 176.5 | 134 | -117.7 | 179.6 | 174.4 | 0 | 0 | 111.4 | ||||
| 109 | K | 34.8 | Very low | 35.3 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | -140.3 | 171.4 | -167 | -89.6 | 178.2 | 175.2 | 172.4 | 0 | 112.5 | ||||
| 110 | T | 33 | Very low | 35.5 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | 74.7 | 148.8 | 155.6 | 22.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 111 | R | 30.8 | Very low | 36 | Very low | 229 Ų | 229 | 143.6 Ų | 143.6 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | cis | -151.8 | 161.7 | -4.8 | -158.7 | 166.4 | -172.5 | 178.8 | 1.4 | 110.8 | ||||
| 112 | C | 27.9 | Very low | 35.8 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -73.9 | 154.7 | 177.3 | -34.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 113 | A | 31.6 | Very low | 35.9 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -151.7 | 141.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 114 | S | 35 | Very low | 36 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -147.6 | 155 | 170.9 | 167.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 115 | P | 46.8 | Very low | 35.6 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | -131.8 | 170.2 | 127 | 37.2 | -28.8 | 0 | 0 | 0 | 113.8 | |||||
| 116 | D | 31.4 | Very low | 34.8 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 66% | 0.658 | 80% | 0.798 | S | S | * | * | trans | -102 | 159.5 | -170 | 173.9 | 32.8 | 0 | 0 | 0 | 112.8 | S118 | D116-S118 PolarHBondContact OD1-N 3.39Š| ||
| 117 | S | 34.3 | Very low | 35 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -160.8 | 70.9 | 162.3 | -78.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 118 | S | 36.4 | Very low | 35.3 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | trans | -1.9 | 128.1 | 145.4 | -71.1 | 0 | 0 | 0 | 0 | 119.1 | D116 | D116-S118 PolarHBondContact OD1-N 3.39Š| ||
| 119 | S | 34.3 | Very low | 35.7 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | -159.5 | 149.6 | 126.9 | -165 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 120 | M | 36.9 | Very low | 35.7 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -146.4 | -178.6 | -173.2 | -57.6 | -173.4 | -169.7 | 0 | 0 | 111.3 | ||||
| 121 | M | 46.5 | Very low | 35.9 | Very low | 179 Ų | 179 | 135 Ų | 135 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | 77.1 | 140.8 | -175.8 | -43.8 | -52.2 | 177 | 0 | 0 | 114.4 | ||||
| 122 | A | 32.5 | Very low | 36.3 | Very low | 82 Ų | 82 | 130.3 Ų | 130.3 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | cis | 138.4 | 138.7 | -15.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 123 | C | 34.8 | Very low | 36.6 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 26.2 | 130.6 | 164 | 60.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 124 | N | 35 | Very low | 37.3 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 92% | 0.92 | 78% | 0.781 | S | S | * | * | -152.2 | 141.3 | 128.3 | -103.7 | -28.5 | 0 | 0 | 0 | 110.5 | |||||
| 125 | N | 39.1 | Very low | 37.3 | Very low | 150 Ų | 150 | 130 Ų | 130 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -157.9 | 105.6 | 179.8 | 178.4 | 102.8 | 0 | 0 | 0 | 108.3 | ||||
| 126 | D | 30.9 | Very low | 37.3 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | -168.1 | 160.5 | 154 | -137 | -72.5 | 0 | 0 | 0 | 114.5 | ||||
| 127 | S | 37.5 | Very low | 37.7 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 69.7 | 112.1 | 150 | -70.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 128 | D | 40 | Very low | 38.3 | Very low | 155 Ų | 155 | 134 Ų | 134 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -51 | 138.9 | 153.7 | -70.3 | -87.9 | 0 | 0 | 0 | 112.9 | ||||
| 129 | K | 40.3 | Very low | 38.6 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | trans | -158.4 | 131 | 130.1 | -92.7 | -29.4 | -156.9 | 153.9 | 0 | 115.4 | ||||
| 130 | D | 34 | Very low | 39.2 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | 24.1 | 125.8 | 150.8 | -66.6 | -67.2 | 0 | 0 | 0 | 120.9 | ||||
| 131 | S | 37 | Very low | 39.6 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -73.5 | 157.3 | 164.4 | -60 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 132 | P | 39 | Very low | 39.8 | Very low | 132 Ų | 132 | 137 Ų | 137 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | -134.6 | 167 | 100.8 | 37.7 | -28.9 | 0 | 0 | 0 | 114.5 | |||||
| 133 | S | 35.7 | Very low | 40.9 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -105.9 | -170.4 | -170.4 | 70.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 134 | P | 46.8 | Very low | 41.4 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | -129.1 | -179.4 | -110.1 | 36 | -15.6 | 0 | 0 | 0 | 115.1 | |||||
| 135 | S | 33.6 | Very low | 41.8 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -150.7 | 148.1 | 153.8 | 65.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 136 | P | 47.2 | Very low | 42.2 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | -139.2 | 165.6 | 110.3 | 38.3 | -27.7 | 0 | 0 | 0 | 113.6 | |||||
| 137 | S | 39.2 | Very low | 43.1 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -135.8 | 119.4 | -176 | -53.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 138 | K | 47.5 | Very low | 43.3 | Very low | 212 Ų | 212 | 136.1 Ų | 136.1 | 92% | 0.922 | 79% | 0.788 | S | S | * | * | trans | -155.5 | 141.1 | 146.2 | -59.6 | -164.4 | -179.3 | 177.2 | 0 | 105.5 | ||||
| 139 | G | 42.2 | Very low | 43.7 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | cis | 81.1 | 128 | 41.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 140 | K | 46.6 | Very low | 44.5 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | cis | -158.1 | 169.2 | 6.1 | -91 | -163.2 | 165.5 | -143 | 0 | 107.6 | ||||
| 141 | E | 46.9 | Very low | 45.5 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | cis | -166 | 145.2 | -22.8 | -115.1 | -169.6 | -90.2 | 0 | 0 | 107.5 | ||||
| 142 | K | 50.8 | Low | 46.7 | Very low | 209 Ų | 209 | 136.9 Ų | 136.9 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -162.1 | 135.3 | 151.9 | -156.7 | 163.6 | -174.4 | 172.9 | 0 | 113.4 | ||||
| 143 | K | 55 | Low | 47.9 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -89.9 | 138.6 | 170.9 | -64.7 | -176.8 | -178.9 | 179.7 | 0 | 111.4 | ||||
| 144 | N | 44.3 | Very low | 49.1 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | -141 | 161.7 | 141.6 | 60.3 | 28.2 | 0 | 0 | 0 | 108.9 | ||||
| 145 | S | 43.4 | Very low | 50.1 | Low | 116 Ų | 116 | 137.6 Ų | 137.6 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 124.2 | -168.4 | -164.7 | 0 | 0 | 0 | 0 | 111.3 | ||
| 146 | G | 48.9 | Very low | 51.6 | Low | 65 Ų | 65 | 137.4 Ų | 137.4 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 130.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 147 | P | 48.3 | Very low | 52.9 | Low | 127 Ų | 127 | 135.5 Ų | 135.5 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 130.4 | -174.4 | 28.6 | -34.4 | 0 | 0 | 0 | 112.8 | ||
| 148 | S | 41.7 | Very low | 54.7 | Low | 89 Ų | 89 | 137 Ų | 137 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | trans | 36.3 | 102.2 | 151.8 | -160.4 | 0 | 0 | 0 | 0 | 116.9 | R150 | S148-R150 PolarHBondContact OG-N 2.87Š| ||
| 149 | A | 49.6 | Very low | 55.8 | Low | 100 Ų | 100 | 134.2 Ų | 134.2 | 83% | 0.826 | 72% | 0.717 | S | S | * | * | cis | 58.7 | 30.3 | 35.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 150 | R | 55.8 | Low | 57.4 | Low | 221 Ų | 221 | 137.1 Ų | 137.1 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | trans | -148.3 | 120.8 | 155.1 | -95.5 | 118.1 | -161 | -91.5 | 2 | 114.1 | S148 | S148-R150 PolarHBondContact OG-N 2.87Š| ||
| 151 | K | 56.3 | Low | 58.4 | Low | 217 Ų | 217 | 133.3 Ų | 133.3 | 94% | 0.943 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 48.4 | 99.1 | 141.2 | -158.3 | 171.7 | -174 | 176.6 | 0 | 117.9 | ||
| 152 | G | 61.4 | Low | 59.5 | Low | 58 Ų | 58 | 134.4 Ų | 134.4 | 60% | 0.598 | 69% | 0.694 | S | S | * | * | trans | 156.5 | -13.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | G154 | G152-G154 PolarHBondContact O-N 3Š| ||
| 153 | K | 63.8 | Low | 60.1 | Low | 172 Ų | 172 | 128.7 Ų | 128.7 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 128.7 | 175 | -81.2 | -161.9 | 168 | -140.4 | 0 | 110.9 | E157 | K153-E157 WeakPolarHBondContact CB-OE2 3.36Å; K153-E157 VanDerWaalsContact CD-OE2 3.28Å; K153-E157 WeakPolarHBondContact CD-OE2 3.46Å; K153-E157 WeakPolarHBondContact CE-OE1 3.37Å; K153-E157 WeakPolarHBondContact CG-OE2 3.45Å; K153-E157 IonicContact NZ-OE1 3.88Å; K153-E157 PolarHBondContact NZ-OE1 2.99Å; K153-E157 IonicContact NZ-OE2 2.65Å |
| 154 | G | 62.5 | Low | 61.1 | Low | 45 Ų | 45 | 128.8 Ų | 128.8 | 46% | 0.464 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 136.1 | -28.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | G152 K158 | G152-G154 PolarHBondContact O-N 3Å; G154-K158 WeakPolarHBondContact O-CB 3.48Å; G154-K158 WeakPolarHBondContact O-CD 3.05Å |
| 155 | Q | 67.6 | Low | 62.7 | Low | 163 Ų | 163 | 130.9 Ų | 130.9 | 76% | 0.762 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | -48.6 | 178.9 | -153.5 | 178.7 | 23.8 | 0 | 0 | 113.3 | K158 R159 | Q155-K158 PolarHBondContact O-N 3.32Å; Q155-R159 WeakPolarHBondContact O-CB 3.37Å; Q155-R159 PolarHBondContact O-N 2.86Å |
| 156 | I | 65.4 | Low | 64 | Low | 101 Ų | 101 | 133.4 Ų | 133.4 | 52% | 0.518 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -67.5 | -39.7 | 175.3 | -169 | 64.2 | 0 | 0 | 0 | 111.9 | K158 R159 K160 | I156-K158 VanDerWaalsContact C-N 3.33Å; I156-K158 PolarHBondContact O-N 3.5Å; I156-R159 WeakPolarHBondContact O-CB 3.34Å; I156-R159 PolarHBondContact O-N 3.44Å; I156-K160 PolarHBondContact O-N 3.11Å |
| 157 | E | 74.3 | Confident | 64.5 | Low | 92 Ų | 92 | 136.2 Ų | 136.2 | 43% | 0.43 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -68.5 | -33.9 | 176.8 | -164.2 | 166.4 | -141.1 | 0 | 0 | 111.5 | K153 L161 | K153-E157 WeakPolarHBondContact CB-OE2 3.36Å; K153-E157 VanDerWaalsContact CD-OE2 3.28Å; K153-E157 WeakPolarHBondContact CD-OE2 3.46Å; K153-E157 WeakPolarHBondContact CE-OE1 3.37Å; K153-E157 WeakPolarHBondContact CG-OE2 3.45Å; K153-E157 IonicContact NZ-OE1 3.88Å; K153-E157 PolarHBondContact NZ-OE1 2.99Å; K153-E157 IonicContact NZ-OE2 2.65Å; E157-L161 WeakPolarHBondContact O-CB 3.49Å; E157-L161 PolarHBondContact O-N 2.97Å |
| 158 | K | 75.9 | Confident | 64.9 | Low | 143 Ų | 143 | 134.6 Ų | 134.6 | 62% | 0.622 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -81.1 | -23.9 | 176.2 | -158.7 | 170.2 | -171.3 | 172.9 | 0 | 112.7 | G154 Q155 I156 R162 | G154-K158 WeakPolarHBondContact O-CB 3.48Å; G154-K158 WeakPolarHBondContact O-CD 3.05Å; Q155-K158 PolarHBondContact O-N 3.32Å; I156-K158 VanDerWaalsContact C-N 3.33Å; I156-K158 PolarHBondContact O-N 3.5Å; K158-R162 WeakPolarHBondContact O-CG 3.38Å; K158-R162 PolarHBondContact O-N 2.94Å; K158-R162 VanDerWaalsContact O-N 3.15Å |
| 159 | R | 70.8 | Confident | 66 | Low | 154 Ų | 154 | 133.3 Ų | 133.3 | 58% | 0.581 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.5 | -57.8 | 163.3 | -175 | -176.2 | -67.8 | 176.3 | -2.4 | 109.1 | Q155 I156 L161 R162 E163 | Q155-R159 WeakPolarHBondContact O-CB 3.37Å; Q155-R159 PolarHBondContact O-N 2.86Å; I156-R159 WeakPolarHBondContact O-CB 3.34Å; I156-R159 PolarHBondContact O-N 3.44Å; R159-L161 PolarHBondContact O-N 3.37Å; R159-L161 VanDerWaalsContact O-N 3.17Å; R159-R162 CarbonylContact O-C 3.33Å; R159-R162 WeakPolarHBondContact O-CA 3.48Å; R159-R162 WeakPolarHBondContact O-CB 3.48Å; R159-R162 PolarHBondContact O-N 2.92Å; R159-E163 WeakPolarHBondContact O-CB 3.15Å; R159-E163 PolarHBondContact O-N 3.02Å |
| 160 | K | 76.1 | Confident | 66.4 | Low | 132 Ų | 132 | 135 Ų | 135 | 57% | 0.574 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -55 | -34.7 | 176.2 | -78 | -166.9 | 171 | -170.7 | 0 | 113.6 | I156 E163 K164 | I156-K160 PolarHBondContact O-N 3.11Å; K160-E163 WeakPolarHBondContact O-CB 3.45Å; K160-K164 WeakPolarHBondContact O-CB 3.32Å; K160-K164 WeakPolarHBondContact O-CG 3.45Å; K160-K164 PolarHBondContact O-N 3.08Å |
| 161 | L | 67.1 | Low | 66.3 | Low | 102 Ų | 102 | 130.2 Ų | 130.2 | 53% | 0.534 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -72.3 | -31.8 | 173.7 | -170.7 | 68 | 0 | 0 | 0 | 113.1 | E157 R159 R165 | E157-L161 WeakPolarHBondContact O-CB 3.49Å; E157-L161 PolarHBondContact O-N 2.97Å; R159-L161 PolarHBondContact O-N 3.37Å; R159-L161 VanDerWaalsContact O-N 3.17Å; L161-R165 WeakPolarHBondContact O-CB 3.08Å; L161-R165 VanDerWaalsContact O-CG 3.27Å; L161-R165 WeakPolarHBondContact O-CG 3.34Å; L161-R165 PolarHBondContact O-N 2.9Å |
| 162 | R | 70.4 | Confident | 66.4 | Low | 165 Ų | 165 | 125.2 Ų | 125.2 | 62% | 0.623 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.6 | -39.9 | 170.5 | -82.9 | -176.6 | 168.3 | -165.4 | -2.5 | 111.5 | K158 R159 R165 R166 | K158-R162 WeakPolarHBondContact O-CG 3.38Å; K158-R162 PolarHBondContact O-N 2.94Å; K158-R162 VanDerWaalsContact O-N 3.15Å; R159-R162 CarbonylContact O-C 3.33Å; R159-R162 WeakPolarHBondContact O-CA 3.48Å; R159-R162 WeakPolarHBondContact O-CB 3.48Å; R159-R162 PolarHBondContact O-N 2.92Å; R162-R165 CarbonylContact O-C 3.56Å; R162-R165 VanDerWaalsContact O-C 3.26Å; R162-R165 PolarHBondContact O-N 3.2Å; R162-R165 VanDerWaalsContact O-N 3.13Å; R162-R166 WeakPolarHBondContact O-CB 3.44Å; R162-R166 VanDerWaalsContact O-CG 3.29Å; R162-R166 WeakPolarHBondContact O-CG 3.35Å; R162-R166 PolarHBondContact O-N 3.49Å |
| 163 | E | 62.8 | Low | 66.4 | Low | 89 Ų | 89 | 129 Ų | 129 | 42% | 0.416 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -59.4 | -54.6 | 174.7 | -133.1 | 145.5 | -128.4 | 0 | 0 | 110.3 | R159 K160 R165 R166 | R159-E163 WeakPolarHBondContact O-CB 3.15Å; R159-E163 PolarHBondContact O-N 3.02Å; K160-E163 WeakPolarHBondContact O-CB 3.45Å; E163-R165 PolarHBondContact O-N 3.43Å; E163-R166 CarbonylContact O-C 3.26Å; E163-R166 PolarHBondContact O-N 3.24Å; E163-R166 VanDerWaalsContact O-N 3.07Å |
| 164 | K | 76.2 | Confident | 65.9 | Low | 191 Ų | 191 | 126 Ų | 126 | 83% | 0.83 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -8.3 | 172.2 | -76.4 | -165.3 | 170.6 | -160 | 0 | 115.1 | K160 | K160-K164 WeakPolarHBondContact O-CB 3.32Å; K160-K164 WeakPolarHBondContact O-CG 3.45Å; K160-K164 PolarHBondContact O-N 3.08Å |
| 165 | R | 78.3 | Confident | 65.5 | Low | 207 Ų | 207 | 129.9 Ų | 129.9 | 78% | 0.781 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 12.7 | 178.3 | -63.8 | -175.7 | 70.7 | 165.6 | 4.7 | 113 | L161 R162 E163 | L161-R165 WeakPolarHBondContact O-CB 3.08Å; L161-R165 VanDerWaalsContact O-CG 3.27Å; L161-R165 WeakPolarHBondContact O-CG 3.34Å; L161-R165 PolarHBondContact O-N 2.9Å; R162-R165 CarbonylContact O-C 3.56Å; R162-R165 VanDerWaalsContact O-C 3.26Å; R162-R165 PolarHBondContact O-N 3.2Å; R162-R165 VanDerWaalsContact O-N 3.13Å; E163-R165 PolarHBondContact O-N 3.43Å |
| 166 | R | 71.5 | Confident | 64.2 | Low | 169 Ų | 169 | 127.7 Ų | 127.7 | 64% | 0.638 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -149.1 | 94.3 | 176.1 | -68.1 | 174.2 | 162 | -142.7 | -11.2 | 105.9 | R162 E163 T168 | R162-R166 WeakPolarHBondContact O-CB 3.44Å; R162-R166 VanDerWaalsContact O-CG 3.29Å; R162-R166 WeakPolarHBondContact O-CG 3.35Å; R162-R166 PolarHBondContact O-N 3.49Å; E163-R166 CarbonylContact O-C 3.26Å; E163-R166 PolarHBondContact O-N 3.24Å; E163-R166 VanDerWaalsContact O-N 3.07Å; R166-T168 PolarHBondContact O-N 3.35Å |
| 167 | S | 58.9 | Low | 63.5 | Low | 123 Ų | 123 | 131.1 Ų | 131.1 | 86% | 0.86 | 68% | 0.675 | S | S | * | * | trans | -53.7 | 106.5 | 176.7 | -168.5 | 0 | 0 | 0 | 0 | 109.2 | G169 | S167-G169 PolarHBondContact O-N 3.42Š| ||
| 168 | T | 56.4 | Low | 62.2 | Low | 93 Ų | 93 | 132.5 Ų | 132.5 | 57% | 0.571 | 69% | 0.694 | S | S | * | * | trans | -79.2 | 106.2 | 164.6 | 47.6 | 0 | 0 | 0 | 0 | 105 | R166 | R166-T168 PolarHBondContact O-N 3.35Š| ||
| 169 | G | 65.1 | Low | 61.3 | Low | 63 Ų | 63 | 133.8 Ų | 133.8 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -54.7 | 153.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S167 | S167-G169 PolarHBondContact O-N 3.42Š|
| 170 | V | 57.4 | Low | 60.5 | Low | 135 Ų | 135 | 133.7 Ų | 133.7 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | 67.3 | 92.2 | -168.9 | -167.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 171 | V | 53.4 | Low | 58.8 | Low | 121 Ų | 121 | 136.6 Ų | 136.6 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | -83.9 | 118.2 | 157.7 | 174.3 | 0 | 0 | 0 | 0 | 107.1 | I173 | V171-I173 HydrophobicContact CG1-CG1 4.44Å; V171-I173 PolarHBondContact O-N 2.79Å | ||
| 172 | S | 60.1 | Low | 57.9 | Low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -69.4 | 102 | 171.4 | -53.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 173 | I | 59.9 | Low | 56.6 | Low | 139 Ų | 139 | 139 Ų | 139 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | -81.9 | 125.8 | 171.1 | -55.5 | 178 | 0 | 0 | 0 | 107.6 | V171 S175 | V171-I173 HydrophobicContact CG1-CG1 4.44Å; V171-I173 PolarHBondContact O-N 2.79Å; I173-S175 PolarHBondContact O-N 2.73Å | ||
| 174 | P | 53.1 | Low | 56.2 | Low | 108 Ų | 108 | 142.1 Ų | 142.1 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -66.6 | 125.5 | 171.1 | -17.8 | 31.9 | 0 | 0 | 0 | 110 | N176 | P174-N176 PolarHBondContact O-N 3.28Š| ||
| 175 | S | 54.4 | Low | 54.8 | Low | 127 Ų | 127 | 139.9 Ų | 139.9 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -75.2 | 109.7 | -177.3 | -47.9 | 0 | 0 | 0 | 0 | 112 | I173 | I173-S175 PolarHBondContact O-N 2.73Š| ||
| 176 | N | 40.4 | Very low | 53.8 | Low | 117 Ų | 117 | 136.5 Ų | 136.5 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | -139.6 | 124.9 | 156.7 | 71.8 | -68.7 | 0 | 0 | 0 | 111.5 | P174 | P174-N176 PolarHBondContact O-N 3.28Š| ||
| 177 | E | 51.9 | Low | 53 | Low | 172 Ų | 172 | 132.3 Ų | 132.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 39.8 | 78.6 | 157.3 | 72.9 | -140.3 | 142.7 | 0 | 0 | 119.6 | ||||
| 178 | S | 45.4 | Very low | 52.8 | Low | 121 Ų | 121 | 128.8 Ų | 128.8 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -94.2 | 98.8 | 146.1 | 54 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 179 | L | 58.3 | Low | 52.8 | Low | 170 Ų | 170 | 128.1 Ų | 128.1 | 89% | 0.89 | 75% | 0.748 | S | S | * | * | trans | -65.1 | 151.6 | 164.7 | -179.5 | 70.1 | 0 | 0 | 0 | 109.6 | ||||
| 180 | D | 53.4 | Low | 52.4 | Low | 152 Ų | 152 | 131.3 Ų | 131.3 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | 85.2 | 75 | 175 | -151.9 | 39.5 | 0 | 0 | 0 | 115.8 | ||||
| 181 | E | 40 | Very low | 52.4 | Low | 194 Ų | 194 | 130.7 Ų | 130.7 | 91% | 0.907 | 74% | 0.736 | S | S | * | * | trans | -144.8 | 101.9 | 155.2 | -147.3 | 161.2 | -127.4 | 0 | 0 | 108.3 | ||||
| 182 | L | 48 | Very low | 53.1 | Low | 159 Ų | 159 | 130.3 Ų | 130.3 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | -132.1 | 86 | 172.3 | -92.4 | 177.4 | 0 | 0 | 0 | 108.4 | ||||
| 183 | D | 42.7 | Very low | 53.6 | Low | 158 Ų | 158 | 132.2 Ų | 132.2 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | trans | -155.3 | 106.4 | 148.9 | -111.9 | -24.2 | 0 | 0 | 0 | 107.7 | D185 | D183-D185 VanDerWaalsContact C-N 3.31Å; D183-D185 PolarHBondContact O-N 3.01Å | ||
| 184 | D | 55.1 | Low | 54.3 | Low | 155 Ų | 155 | 130 Ų | 130 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | trans | -76.1 | 79.8 | 177.8 | -81.8 | -52 | 0 | 0 | 0 | 110 | D186 | D184-D186 PolarHBondContact O-N 3.3Š| ||
| 185 | D | 47.8 | Very low | 55.1 | Low | 144 Ų | 144 | 131.2 Ų | 131.2 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | trans | -77.4 | 74.1 | 172.1 | -126.4 | -12.2 | 0 | 0 | 0 | 109.9 | D183 A187 G188 | D183-D185 VanDerWaalsContact C-N 3.31Å; D183-D185 PolarHBondContact O-N 3.01Å; D185-A187 PolarHBondContact O-N 3.28Å; D185-G188 PolarHBondContact O-N 3Å | ||
| 186 | D | 56.2 | Low | 56.2 | Low | 136 Ų | 136 | 130 Ų | 130 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | -12 | -172.9 | -157.9 | 16.4 | 0 | 0 | 0 | 114.7 | D184 | D184-D186 PolarHBondContact O-N 3.3Š|
| 187 | A | 55.3 | Low | 58.2 | Low | 80 Ų | 80 | 130.5 Ų | 130.5 | 66% | 0.661 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68 | -35.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D185 | D185-A187 PolarHBondContact O-N 3.28Å |
| 188 | G | 54.1 | Low | 59.8 | Low | 49 Ų | 49 | 127.9 Ų | 127.9 | 51% | 0.505 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -76.7 | -32.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | D185 R192 | D185-G188 PolarHBondContact O-N 3Å; G188-R192 PolarHBondContact O-N 3.06Å |
| 189 | E | 56.5 | Low | 61.7 | Low | 79 Ų | 79 | 126.3 Ų | 126.3 | 37% | 0.369 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -74.7 | -28.5 | -177.7 | -139 | -146.6 | -153.5 | 0 | 0 | 112.8 | R192 R193 | E189-R192 VanDerWaalsContact CD-NH2 3.31Å; E189-R192 IonicContact OE1-CZ 3.73Å; E189-R192 IonicContact OE1-NH2 2.68Å; E189-R192 PolarHBondContact OE1-NH2 3.01Å; E189-R193 VanDerWaalsContact O-CB 3.26Å; E189-R193 WeakPolarHBondContact O-CB 2.97Å; E189-R193 PolarHBondContact O-N 3.23Å; E189-R193 IonicContact OE2-CZ 2.7Å; E189-R193 IonicContact OE2-NE 3.81Å; E189-R193 IonicContact OE2-NH2 2.75Å; E189-R193 PolarHBondContact OE2-NH2 3.41Å |
| 190 | K | 55.9 | Low | 63.2 | Low | 131 Ų | 131 | 125.2 Ų | 125.2 | 57% | 0.57 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.1 | -45.3 | 174.1 | -177.5 | -179.8 | 176.1 | -73.6 | 0 | 111.7 | R193 E194 | K190-R193 PolarHBondContact O-N 3.22Å; K190-E194 IonicContact NZ-OE2 3.22Å; K190-E194 PolarHBondContact NZ-OE2 3.39Å; K190-E194 WeakPolarHBondContact O-CB 3.34Å; K190-E194 PolarHBondContact O-N 2.76Å |
| 191 | D | 59.3 | Low | 64.6 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 65% | 0.647 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.8 | -46.4 | -179.2 | -164.5 | 49.6 | 0 | 0 | 0 | 110.9 | R193 E194 E195 | D191-R193 VanDerWaalsContact C-N 3.33Å; D191-R193 PolarHBondContact O-N 3.06Å; D191-E194 PolarHBondContact O-N 2.91Å; D191-E195 PolarHBondContact O-N 3.05Å |
| 192 | R | 67.6 | Low | 66.8 | Low | 114 Ų | 114 | 116.8 Ų | 116.8 | 43% | 0.43 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59.5 | -40.5 | 173.1 | -178.5 | 172.5 | 61.6 | 75.5 | -4.3 | 112.6 | G188 E189 E195 E196 | G188-R192 PolarHBondContact O-N 3.06Å; E189-R192 VanDerWaalsContact CD-NH2 3.31Å; E189-R192 IonicContact OE1-CZ 3.73Å; E189-R192 IonicContact OE1-NH2 2.68Å; E189-R192 PolarHBondContact OE1-NH2 3.01Å; R192-E195 PolarHBondContact O-N 2.94Å; R192-E196 WeakPolarHBondContact CG-OE1 3.26Å; R192-E196 IonicContact CZ-OE1 2.71Å; R192-E196 IonicContact NH1-OE1 2.72Å; R192-E196 PolarHBondContact NH1-OE1 3.07Å; R192-E196 IonicContact NH1-OE2 2.61Å; R192-E196 WeakPolarHBondContact O-CB 3.27Å; R192-E196 WeakPolarHBondContact O-CG 3.31Å; R192-E196 PolarHBondContact O-N 3.36Å |
| 193 | R | 69.4 | Low | 68.6 | Low | 150 Ų | 150 | 112.3 Ų | 112.3 | 57% | 0.566 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.2 | -35.4 | 178.2 | -164.3 | -176.4 | -60.2 | -179.7 | 3 | 112.3 | E189 K190 D191 E196 E197 | E189-R193 VanDerWaalsContact O-CB 3.26Å; E189-R193 WeakPolarHBondContact O-CB 2.97Å; E189-R193 PolarHBondContact O-N 3.23Å; E189-R193 IonicContact OE2-CZ 2.7Å; E189-R193 IonicContact OE2-NE 3.81Å; E189-R193 IonicContact OE2-NH2 2.75Å; E189-R193 PolarHBondContact OE2-NH2 3.41Å; K190-R193 PolarHBondContact O-N 3.22Å; D191-R193 VanDerWaalsContact C-N 3.33Å; D191-R193 PolarHBondContact O-N 3.06Å; R193-E196 PolarHBondContact O-N 2.88Å; R193-E197 WeakPolarHBondContact O-CB 3.27Å; R193-E197 PolarHBondContact O-N 3.13Å |
| 194 | E | 74.6 | Confident | 70.5 | Confident | 92 Ų | 92 | 112 Ų | 112 | 43% | 0.43 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.2 | -36.9 | 175.8 | -164.4 | 163.4 | 161.4 | 0 | 0 | 111.2 | K190 D191 E197 L198 | K190-E194 IonicContact NZ-OE2 3.22Å; K190-E194 PolarHBondContact NZ-OE2 3.39Å; K190-E194 WeakPolarHBondContact O-CB 3.34Å; K190-E194 PolarHBondContact O-N 2.76Å; D191-E194 PolarHBondContact O-N 2.91Å; E194-E197 PolarHBondContact O-N 3.12Å; E194-L198 HydrophobicContact CG-CD1 4.46Å; E194-L198 WeakPolarHBondContact O-CB 3.27Å; E194-L198 WeakPolarHBondContact O-CD1 3.42Å; E194-L198 PolarHBondContact O-N 3.24Å |
| 195 | E | 71.4 | Confident | 71.8 | Confident | 134 Ų | 134 | 109.6 Ų | 109.6 | 63% | 0.626 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.8 | -46.9 | 168.8 | -173.6 | 178.2 | -154.4 | 0 | 0 | 111.9 | D191 R192 E197 L198 V199 | D191-E195 PolarHBondContact O-N 3.05Å; R192-E195 PolarHBondContact O-N 2.94Å; E195-E197 VanDerWaalsContact C-N 3.31Å; E195-E197 PolarHBondContact O-N 3.27Å; E195-L198 PolarHBondContact O-N 3Å; E195-V199 WeakPolarHBondContact O-CG2 3.3Å; E195-V199 PolarHBondContact O-N 3.06Å |
| 196 | E | 76.8 | Confident | 73 | Confident | 103 Ų | 103 | 106.4 Ų | 106.4 | 48% | 0.481 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 176.4 | -75.9 | 173.3 | -151.5 | 0 | 0 | 112 | R192 R193 Q200 | R192-E196 WeakPolarHBondContact CG-OE1 3.26Å; R192-E196 IonicContact CZ-OE1 2.71Å; R192-E196 IonicContact NH1-OE1 2.72Å; R192-E196 PolarHBondContact NH1-OE1 3.07Å; R192-E196 IonicContact NH1-OE2 2.61Å; R192-E196 WeakPolarHBondContact O-CB 3.27Å; R192-E196 WeakPolarHBondContact O-CG 3.31Å; R192-E196 PolarHBondContact O-N 3.36Å; R193-E196 PolarHBondContact O-N 2.88Å; E196-Q200 WeakPolarHBondContact O-CB 3.46Å; E196-Q200 PolarHBondContact O-N 3.05Å |
| 197 | E | 82.1 | Confident | 73.9 | Confident | 126 Ų | 126 | 105.4 Ų | 105.4 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.6 | -42.9 | 174.4 | -171.5 | 168.5 | -173.3 | 0 | 0 | 112.2 | R193 E194 E195 V199 Q200 V201 | R193-E197 WeakPolarHBondContact O-CB 3.27Å; R193-E197 PolarHBondContact O-N 3.13Å; E194-E197 PolarHBondContact O-N 3.12Å; E195-E197 VanDerWaalsContact C-N 3.31Å; E195-E197 PolarHBondContact O-N 3.27Å; E197-V199 VanDerWaalsContact C-N 3.32Å; E197-V199 PolarHBondContact O-N 3.04Å; E197-Q200 PolarHBondContact O-N 3.26Å; E197-V201 HydrophobicContact CG-CG2 4.42Å; E197-V201 WeakPolarHBondContact O-CG2 3.46Å; E197-V201 PolarHBondContact O-N 2.8Å |
| 198 | L | 85 | Confident | 74.7 | Confident | 118 Ų | 118 | 104.9 Ų | 104.9 | 62% | 0.618 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.4 | -42.8 | 174.1 | -105.5 | 73.3 | 0 | 0 | 0 | 112 | E194 E195 N202 | E194-L198 HydrophobicContact CG-CD1 4.46Å; E194-L198 WeakPolarHBondContact O-CB 3.27Å; E194-L198 WeakPolarHBondContact O-CD1 3.42Å; E194-L198 PolarHBondContact O-N 3.24Å; E195-L198 PolarHBondContact O-N 3Å; L198-N202 VanDerWaalsContact O-CB 3.3Å; L198-N202 WeakPolarHBondContact O-CB 3.19Å; L198-N202 PolarHBondContact O-N 3.42Å |
| 199 | V | 86.5 | Confident | 75.1 | Confident | 87 Ų | 87 | 109 Ų | 109 | 53% | 0.527 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | E195 E197 T203 | E195-V199 WeakPolarHBondContact O-CG2 3.3Å; E195-V199 PolarHBondContact O-N 3.06Å; E197-V199 VanDerWaalsContact C-N 3.32Å; E197-V199 PolarHBondContact O-N 3.04Å; V199-T203 WeakPolarHBondContact O-CB 3.44Å; V199-T203 PolarHBondContact O-N 2.91Å; V199-T203 PolarHBondContact O-OG1 3.14Å |
| 200 | Q | 89.2 | Confident | 75.3 | Confident | 147 Ų | 147 | 110.1 Ų | 110.1 | 69% | 0.687 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.2 | -45.4 | 176.6 | -169.9 | 170.6 | 114.2 | 0 | 0 | 112.2 | E196 E197 T203 F204 | E196-Q200 WeakPolarHBondContact O-CB 3.46Å; E196-Q200 PolarHBondContact O-N 3.05Å; E197-Q200 PolarHBondContact O-N 3.26Å; Q200-T203 PolarHBondContact O-N 3.5Å; Q200-F204 PolarHBondContact O-N 2.93Å |
| 201 | V | 83.8 | Confident | 75.3 | Confident | 87 Ų | 87 | 107.5 Ų | 107.5 | 53% | 0.527 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | E197 T203 F204 Q205 | E197-V201 HydrophobicContact CG-CG2 4.42Å; E197-V201 WeakPolarHBondContact O-CG2 3.46Å; E197-V201 PolarHBondContact O-N 2.8Å; V201-T203 VanDerWaalsContact C-N 3.34Å; V201-T203 PolarHBondContact O-N 3.41Å; V201-F204 PolarHBondContact O-N 3.25Å; V201-Q205 WeakPolarHBondContact O-CB 3.36Å; V201-Q205 PolarHBondContact O-N 2.91Å |
| 202 | N | 84.6 | Confident | 74.5 | Confident | 83 Ų | 83 | 106 Ų | 106 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 176.8 | -166.3 | -100.3 | 0 | 0 | 0 | 111.9 | L198 Q205 N206 | L198-N202 VanDerWaalsContact O-CB 3.3Å; L198-N202 WeakPolarHBondContact O-CB 3.19Å; L198-N202 PolarHBondContact O-N 3.42Å; N202-Q205 PolarHBondContact O-N 3.08Å; N202-N206 VanDerWaalsContact O-CG 3.3Å; N202-N206 PolarHBondContact O-N 3.03Å; N202-N206 PolarHBondContact O-ND2 3.34Å; N202-N206 PolarHBondContact OD1-ND2 3.45Å |
| 203 | T | 86.9 | Confident | 74 | Confident | 64 Ų | 64 | 106.3 Ų | 106.3 | 39% | 0.393 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61 | -51.6 | 174.3 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | V199 Q200 V201 Q205 N206 E207 | V199-T203 WeakPolarHBondContact O-CB 3.44Å; V199-T203 PolarHBondContact O-N 2.91Å; V199-T203 PolarHBondContact O-OG1 3.14Å; Q200-T203 PolarHBondContact O-N 3.5Å; V201-T203 VanDerWaalsContact C-N 3.34Å; V201-T203 PolarHBondContact O-N 3.41Å; T203-Q205 VanDerWaalsContact C-N 3.28Å; T203-Q205 PolarHBondContact O-N 2.92Å; T203-N206 PolarHBondContact O-N 3.19Å; T203-E207 WeakPolarHBondContact O-CG 3.23Å; T203-E207 PolarHBondContact O-N 3.08Å |
| 204 | F | 82.8 | Confident | 73.2 | Confident | 152 Ų | 152 | 102.8 Ų | 102.8 | 67% | 0.667 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.3 | -34.3 | 177.4 | -174.2 | -99.9 | 0 | 0 | 0 | 112.9 | Q200 V201 S208 | Q200-F204 PolarHBondContact O-N 2.93Å; V201-F204 PolarHBondContact O-N 3.25Å; F204-S208 VanDerWaalsContact O-CB 3.3Å; F204-S208 WeakPolarHBondContact O-CB 3.23Å; F204-S208 PolarHBondContact O-N 2.89Å; F204-S208 PolarHBondContact O-OG 2.91Å |
| 205 | Q | 82.1 | Confident | 72.1 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.8 | -43.5 | 174.7 | -169.9 | 175.2 | 36.8 | 0 | 0 | 112.3 | V201 N202 T203 S208 M209 | V201-Q205 WeakPolarHBondContact O-CB 3.36Å; V201-Q205 PolarHBondContact O-N 2.91Å; N202-Q205 PolarHBondContact O-N 3.08Å; T203-Q205 VanDerWaalsContact C-N 3.28Å; T203-Q205 PolarHBondContact O-N 2.92Å; Q205-S208 WeakPolarHBondContact CA-OG 3.43Å; Q205-S208 PolarHBondContact O-OG 2.82Å; Q205-M209 WeakPolarHBondContact O-CG 3.3Å; Q205-M209 PolarHBondContact O-N 2.93Å; Q205-M209 VanDerWaalsContact O-N 3.08Å |
| 206 | N | 73.1 | Confident | 70.9 | Confident | 76 Ų | 76 | 99.8 Ų | 99.8 | 41% | 0.406 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.2 | -38.9 | 176.5 | -69.9 | -45.9 | 0 | 0 | 0 | 112 | N202 T203 T210 | N202-N206 VanDerWaalsContact O-CG 3.3Å; N202-N206 PolarHBondContact O-N 3.03Å; N202-N206 PolarHBondContact O-ND2 3.34Å; N202-N206 PolarHBondContact OD1-ND2 3.45Å; T203-N206 PolarHBondContact O-N 3.19Å; N206-T210 WeakPolarHBondContact O-CG2 3.36Å; N206-T210 PolarHBondContact O-N 2.94Å; N206-T210 PolarHBondContact O-OG1 2.93Å |
| 207 | E | 75.2 | Confident | 69.6 | Low | 116 Ų | 116 | 105.3 Ų | 105.3 | 54% | 0.542 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.3 | -46.2 | 175.7 | -72.3 | -179.1 | 177.4 | 0 | 0 | 111.5 | T203 M209 T210 A211 | T203-E207 WeakPolarHBondContact O-CG 3.23Å; T203-E207 PolarHBondContact O-N 3.08Å; E207-M209 VanDerWaalsContact C-N 3.31Å; E207-M209 PolarHBondContact O-N 3.17Å; E207-T210 CarbonylContact O-C 3.57Å; E207-T210 PolarHBondContact O-N 3.2Å; E207-T210 PolarHBondContact O-OG1 3.48Å; E207-A211 VanDerWaalsContact O-CB 3.23Å; E207-A211 WeakPolarHBondContact O-CB 3.41Å; E207-A211 PolarHBondContact O-N 3.31Å |
| 208 | S | 71.4 | Confident | 68.1 | Low | 68 Ų | 68 | 107.1 Ų | 107.1 | 48% | 0.476 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67 | -26.3 | 178.3 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | F204 Q205 | F204-S208 VanDerWaalsContact O-CB 3.3Å; F204-S208 WeakPolarHBondContact O-CB 3.23Å; F204-S208 PolarHBondContact O-N 2.89Å; F204-S208 PolarHBondContact O-OG 2.91Å; Q205-S208 WeakPolarHBondContact CA-OG 3.43Å; Q205-S208 PolarHBondContact O-OG 2.82Å |
| 209 | M | 63.8 | Low | 66.2 | Low | 136 Ų | 136 | 110 Ų | 110 | 67% | 0.67 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -77.4 | -22.3 | 169.1 | -71.9 | -160.8 | -53 | 0 | 0 | 114.1 | Q205 E207 | Q205-M209 WeakPolarHBondContact O-CG 3.3Å; Q205-M209 PolarHBondContact O-N 2.93Å; Q205-M209 VanDerWaalsContact O-N 3.08Å; E207-M209 VanDerWaalsContact C-N 3.31Å; E207-M209 PolarHBondContact O-N 3.17Å |
| 210 | T | 58.9 | Low | 64.3 | Low | 103 Ų | 103 | 114.6 Ų | 114.6 | 63% | 0.632 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -101.5 | -12.4 | -179 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | N206 E207 D212 | N206-T210 WeakPolarHBondContact O-CG2 3.36Å; N206-T210 PolarHBondContact O-N 2.94Å; N206-T210 PolarHBondContact O-OG1 2.93Å; E207-T210 CarbonylContact O-C 3.57Å; E207-T210 PolarHBondContact O-N 3.2Å; E207-T210 PolarHBondContact O-OG1 3.48Å; T210-D212 PolarHBondContact O-N 3.3Å |
| 211 | A | 56.3 | Low | 61.6 | Low | 76 Ų | 76 | 116 Ų | 116 | 63% | 0.628 | 64% | 0.638 | S | S | * | * | trans | -78.4 | 14.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E207 P213 | E207-A211 VanDerWaalsContact O-CB 3.23Å; E207-A211 WeakPolarHBondContact O-CB 3.41Å; E207-A211 PolarHBondContact O-N 3.31Å; A211-P213 VanDerWaalsContact O-CD 3.26Å; A211-P213 WeakPolarHBondContact O-CD 3.36Å | ||
| 212 | D | 43.9 | Very low | 59 | Low | 89 Ų | 89 | 118.1 Ų | 118.1 | 48% | 0.476 | 65% | 0.652 | S | S | . | * | trans | -68.2 | 114.4 | 166.7 | -179.8 | -3.7 | 0 | 0 | 0 | 109.6 | T210 A214 T215 | T210-D212 PolarHBondContact O-N 3.3Å; D212-A214 PolarHBondContact O-N 3.35Å; D212-A214 VanDerWaalsContact OD1-CB 3.27Å; D212-A214 WeakPolarHBondContact OD1-CB 3.26Å; D212-A214 PolarHBondContact OD1-N 2.72Å; D212-T215 PolarHBondContact O-N 3.39Å; D212-T215 PolarHBondContact O-OG1 3.25Å | ||
| 213 | P | 55.2 | Low | 57.5 | Low | 120 Ų | 120 | 119.6 Ų | 119.6 | 78% | 0.779 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -62.4 | -14.5 | -179.1 | 27.5 | -36.2 | 0 | 0 | 0 | 114 | A211 T215 | A211-P213 VanDerWaalsContact O-CD 3.26Å; A211-P213 WeakPolarHBondContact O-CD 3.36Å; P213-T215 VanDerWaalsContact C-N 3.25Å; P213-T215 PolarHBondContact O-N 2.93Å |
| 214 | A | 52.9 | Low | 55.3 | Low | 77 Ų | 77 | 126.3 Ų | 126.3 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -64.9 | -27.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D212 G216 | D212-A214 PolarHBondContact O-N 3.35Å; D212-A214 VanDerWaalsContact OD1-CB 3.27Å; D212-A214 WeakPolarHBondContact OD1-CB 3.26Å; D212-A214 PolarHBondContact OD1-N 2.72Å; A214-G216 VanDerWaalsContact C-N 3.32Å; A214-G216 PolarHBondContact O-N 3.4Å |
| 215 | T | 52.2 | Low | 53 | Low | 91 Ų | 91 | 124.2 Ų | 124.2 | 56% | 0.558 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -74.7 | -19.8 | -171.6 | -35.5 | 0 | 0 | 0 | 0 | 113.5 | D212 P213 Y217 | D212-T215 PolarHBondContact O-N 3.39Å; D212-T215 PolarHBondContact O-OG1 3.25Å; P213-T215 VanDerWaalsContact C-N 3.25Å; P213-T215 PolarHBondContact O-N 2.93Å; T215-Y217 PolarHBondContact O-N 2.96Å; T215-Y217 VanDerWaalsContact O-N 3.08Å |
| 216 | G | 46.4 | Very low | 51 | Low | 72 Ų | 72 | 124.2 Ų | 124.2 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -68.1 | -8.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | A214 | A214-G216 VanDerWaalsContact C-N 3.32Å; A214-G216 PolarHBondContact O-N 3.4Å |
| 217 | Y | 48.4 | Very low | 49.4 | Very low | 218 Ų | 218 | 126.8 Ų | 126.8 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -104 | -9.3 | -170 | -94.8 | -82.8 | 0 | 0 | 0 | 116.5 | T215 | T215-Y217 PolarHBondContact O-N 2.96Å; T215-Y217 VanDerWaalsContact O-N 3.08Å |
| 218 | L | 51.5 | Low | 47.5 | Very low | 164 Ų | 164 | 124.4 Ų | 124.4 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -109.4 | -12.4 | -165.7 | -166.3 | 55.5 | 0 | 0 | 0 | 116 | ||
| 219 | L | 45.4 | Very low | 46.2 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | trans | -109 | 40.5 | -170.8 | -150.2 | 74 | 0 | 0 | 0 | 115 | ||||
| 220 | Q | 45.4 | Very low | 45 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -113.7 | 52.9 | 177 | -158.4 | -172.6 | 18.4 | 0 | 0 | 113.7 | ||||
| 221 | E | 34.2 | Very low | 44.2 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -149 | 107.9 | 168.4 | -129.5 | 167.5 | -136 | 0 | 0 | 117.1 | ||||
| 222 | T | 28.7 | Very low | 43.5 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | trans | 68 | 140.8 | 154.9 | 63.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 223 | P | 52.1 | Low | 43.4 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | trans | -114.8 | 170.4 | 176.1 | 41.7 | -34.4 | 0 | 0 | 0 | 115.6 | ||||
| 224 | K | 40.9 | Very low | 42.9 | Very low | 205 Ų | 205 | 151 Ų | 151 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | trans | 93.4 | 118.5 | 167.1 | -58.9 | 169.4 | 177.7 | 166.5 | 0 | 117.9 | ||||
| 225 | A | 34.3 | Very low | 42.5 | Very low | 107 Ų | 107 | 155.2 Ų | 155.2 | 88% | 0.884 | 83% | 0.83 | S | S | * | * | -149.4 | 154.4 | 121 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 226 | A | 41 | Very low | 42.3 | Very low | 106 Ų | 106 | 158 Ų | 158 | 88% | 0.876 | 84% | 0.84 | S | S | * | * | trans | -135.6 | 116.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 227 | S | 38.8 | Very low | 42.1 | Very low | 130 Ų | 130 | 163.8 Ų | 163.8 | 91% | 0.909 | 85% | 0.85 | S | S | * | * | trans | -165.1 | 153.6 | 170.6 | -165.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 228 | G | 35.7 | Very low | 41.8 | Very low | 65 Ų | 65 | 163.4 Ų | 163.4 | 67% | 0.67 | 85% | 0.853 | S | S | * | * | cis | 176.3 | 137.7 | -2.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | F230 | G228-F230 PolarHBondContact O-N 3.04Š| ||
| 229 | R | 44.8 | Very low | 41.5 | Very low | 254 Ų | 254 | 164.8 Ų | 164.8 | 96% | 0.958 | 86% | 0.855 | S | S | * | * | trans | -71 | 131.3 | -169.7 | -53.3 | -179.2 | -153.5 | 120.6 | 7.4 | 111.2 | ||||
| 230 | F | 37.4 | Very low | 41.3 | Very low | 198 Ų | 198 | 165.8 Ų | 165.8 | 87% | 0.868 | 86% | 0.855 | S | S | * | * | trans | -135.1 | 140.3 | 154.7 | -144.4 | -95.7 | 0 | 0 | 0 | 111.5 | G228 | G228-F230 PolarHBondContact O-N 3.04Š| ||
| 231 | K | 41.8 | Very low | 41 | Very low | 193 Ų | 193 | 164.9 Ų | 164.9 | 84% | 0.839 | 86% | 0.856 | S | S | * | * | trans | -80.9 | 134.6 | 178.2 | -58.3 | 174.6 | -178.4 | 178.4 | 0 | 108.6 | ||||
| 232 | R | 42.5 | Very low | 41.3 | Very low | 209 Ų | 209 | 162.3 Ų | 162.3 | 79% | 0.789 | 86% | 0.857 | S | S | * | * | trans | -140.9 | 10.3 | 171.1 | -127.2 | -163.6 | -60.7 | 132.1 | -4.3 | 115.8 | T234 | R232-T234 VanDerWaalsContact C-N 3.3Å; R232-T234 PolarHBondContact O-N 3.17Å | ||
| 233 | N | 41.8 | Very low | 41.6 | Very low | 160 Ų | 160 | 160.4 Ų | 160.4 | 86% | 0.856 | 86% | 0.855 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 70.9 | -178.9 | -166.8 | 15.2 | 0 | 0 | 0 | 111.7 | ||
| 234 | T | 43.7 | Very low | 40.8 | Very low | 138 Ų | 138 | 166.9 Ų | 166.9 | 85% | 0.847 | 87% | 0.865 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.4 | 6 | 169.8 | -7.2 | 0 | 0 | 0 | 0 | 116.1 | R232 | R232-T234 VanDerWaalsContact C-N 3.3Å; R232-T234 PolarHBondContact O-N 3.17Å |
| 235 | L | 46 | Very low | 40.6 | Very low | 164 Ų | 164 | 166.4 Ų | 166.4 | 86% | 0.859 | 87% | 0.866 | S | S | * | * | S | Bend | trans | -151.9 | 56.4 | -178.8 | -160 | 71.2 | 0 | 0 | 0 | 115.2 | ||
| 236 | I | 47.3 | Very low | 40.6 | Very low | 150 Ų | 150 | 164.9 Ų | 164.9 | 77% | 0.769 | 86% | 0.861 | S | S | * | * | trans | -139.1 | 60.4 | 166.5 | -44.9 | 179 | 0 | 0 | 0 | 110.4 | ||||
| 237 | M | 42.7 | Very low | 40.3 | Very low | 194 Ų | 194 | 168.9 Ų | 168.9 | 96% | 0.956 | 86% | 0.864 | S | S | * | * | S | Bend | trans | -148.6 | 45.8 | 169.7 | -80.3 | -161.4 | 173 | 0 | 0 | 112.1 | ||
| 238 | K | 42.8 | Very low | 40.3 | Very low | 209 Ų | 209 | 170.9 Ų | 170.9 | 91% | 0.909 | 86% | 0.859 | S | S | * | * | S | Bend | trans | -156 | 8.4 | 168.1 | -135.8 | -172.1 | 173.9 | -179.6 | 0 | 119 | ||
| 239 | E | 44.5 | Very low | 40.4 | Very low | 193 Ų | 193 | 176.8 Ų | 176.8 | 90% | 0.902 | 87% | 0.869 | S | S | * | * | trans | -151.5 | 64.3 | -175.2 | -158.1 | 161.6 | -143 | 0 | 0 | 114.7 | ||||
| 240 | Q | 40.8 | Very low | 40.4 | Very low | 200 Ų | 200 | 174.2 Ų | 174.2 | 94% | 0.935 | 87% | 0.867 | S | S | * | * | trans | -143 | 77.2 | 155.5 | -75.9 | -158.2 | 0.8 | 0 | 0 | 110.5 | ||||
| 241 | N | 38.5 | Very low | 40.7 | Very low | 164 Ų | 164 | 169.6 Ų | 169.6 | 88% | 0.877 | 87% | 0.866 | S | S | * | * | S | Bend | trans | -151.2 | 134.8 | 157 | -142.5 | -10.5 | 0 | 0 | 0 | 107.7 | ||
| 242 | S | 40.9 | Very low | 40.7 | Very low | 122 Ų | 122 | 164 Ų | 164 | 85% | 0.853 | 86% | 0.863 | S | S | * | * | trans | 70.7 | 88.8 | -164.5 | -163.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 243 | A | 34.7 | Very low | 40.6 | Very low | 94 Ų | 94 | 157.3 Ų | 157.3 | 78% | 0.777 | 86% | 0.859 | S | S | * | * | trans | -153.9 | 115.4 | 153 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 244 | R | 35.9 | Very low | 40.5 | Very low | 250 Ų | 250 | 156.5 Ų | 156.5 | 94% | 0.943 | 86% | 0.855 | S | S | * | * | trans | 59.7 | 101.8 | 160.3 | -64.6 | -173.9 | 170.3 | -143.2 | -6.1 | 119.5 | ||||
| 245 | Q | 37.8 | Very low | 40.6 | Very low | 194 Ų | 194 | 158.2 Ų | 158.2 | 91% | 0.907 | 86% | 0.857 | S | S | * | * | trans | -65 | 161.6 | 139.2 | -60.7 | 161.4 | -60.4 | 0 | 0 | 110.6 | ||||
| 246 | G | 32.5 | Very low | 40.6 | Very low | 75 Ų | 75 | 161 Ų | 161 | 77% | 0.773 | 86% | 0.856 | S | S | * | * | trans | 79 | 100.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 247 | M | 36.2 | Very low | 40.4 | Very low | 191 Ų | 191 | 162.7 Ų | 162.7 | 94% | 0.941 | 86% | 0.861 | S | S | * | * | trans | -147.4 | 129 | 137.9 | -169.6 | 161.8 | 174.8 | 0 | 0 | 108.1 | ||||
| 248 | E | 37.8 | Very low | 40.8 | Very low | 172 Ų | 172 | 164.4 Ų | 164.4 | 80% | 0.804 | 86% | 0.856 | S | S | * | * | trans | -113.6 | -177.9 | -177.6 | -64.8 | 177.6 | -160.6 | 0 | 0 | 109.9 | ||||
| 249 | E | 38.7 | Very low | 41 | Very low | 189 Ų | 189 | 163.3 Ų | 163.3 | 88% | 0.883 | 86% | 0.855 | S | S | * | * | trans | 63.6 | 105.2 | -179.3 | -61 | -164.2 | 111.2 | 0 | 0 | 117.9 | ||||
| 250 | E | 43.5 | Very low | 41.2 | Very low | 199 Ų | 199 | 160 Ų | 160 | 93% | 0.93 | 84% | 0.843 | S | S | * | * | -136.1 | 113.7 | 125.8 | -171.1 | 169.4 | -169.4 | 0 | 0 | 109.6 | |||||
| 251 | A | 45.3 | Very low | 41.7 | Very low | 102 Ų | 102 | 162.2 Ų | 162.2 | 84% | 0.843 | 84% | 0.843 | S | S | * | * | trans | -117.1 | 84.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 252 | G | 39.9 | Very low | 42.3 | Very low | 75 Ų | 75 | 162 Ų | 162 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | trans | -134.3 | 98.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 253 | G | 41.5 | Very low | 42.4 | Very low | 68 Ų | 68 | 162.2 Ų | 162.2 | 70% | 0.701 | 84% | 0.838 | S | S | * | * | trans | -111.6 | 176.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 254 | N | 40.4 | Very low | 43.6 | Very low | 143 Ų | 143 | 169 Ų | 169 | 77% | 0.765 | 84% | 0.843 | S | S | * | * | trans | 70.7 | 123.6 | 173.9 | -57.1 | -47.1 | 0 | 0 | 0 | 117.3 | ||||
| 255 | I | 45.6 | Very low | 44.4 | Very low | 174 Ų | 174 | 166 Ų | 166 | 89% | 0.892 | 84% | 0.84 | S | S | * | * | -149.1 | 140.5 | 98.1 | -97.4 | 151.2 | 0 | 0 | 0 | 110.5 | |||||
| 256 | R | 46.3 | Very low | 45 | Very low | 224 Ų | 224 | 159.9 Ų | 159.9 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | -75.4 | 138.8 | -166.3 | -53.6 | 152.3 | -178.2 | 169 | -0.6 | 111.8 | ||||
| 257 | Q | 41.8 | Very low | 46.3 | Very low | 185 Ų | 185 | 158.4 Ų | 158.4 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -134.8 | 135.7 | 135 | -165.3 | 156.6 | -9.5 | 0 | 0 | 109.7 | ||||
| 258 | R | 50.9 | Low | 47.6 | Very low | 229 Ų | 229 | 151 Ų | 151 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -100.7 | 110 | -179.2 | -79.4 | 177.2 | 169.2 | 176.8 | -3.5 | 109.4 | ||||
| 259 | E | 47.8 | Very low | 49.2 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -174.1 | 140.6 | 149 | -102.3 | 145.8 | -162.1 | 0 | 0 | 105.9 | ||||
| 260 | N | 47.7 | Very low | 51.3 | Low | 124 Ų | 124 | 141.9 Ų | 141.9 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | cis | -132.7 | 137.5 | 12.6 | 179.8 | 10.5 | 0 | 0 | 0 | 110.6 | H262 | N260-H262 PolarHBondContact O-N 2.75Å; N260-H262 PolarHBondContact OD1-CD2 3.26Å | ||
| 261 | R | 52.8 | Low | 53.5 | Low | 245 Ų | 245 | 138.1 Ų | 138.1 | 93% | 0.925 | 74% | 0.743 | S | S | * | * | trans | -95.8 | 72.7 | 176.6 | -84.6 | -173.8 | 167.6 | -174.1 | -5.3 | 111.5 | ||||
| 262 | H | 49.5 | Very low | 55.5 | Low | 161 Ų | 161 | 139.1 Ų | 139.1 | 75% | 0.745 | 73% | 0.73 | S | S | * | * | trans | -135.9 | 139.4 | 168.5 | -82 | -71.9 | 0 | 0 | 0 | 112.5 | N260 | N260-H262 PolarHBondContact O-N 2.75Å; N260-H262 PolarHBondContact OD1-CD2 3.26Å | ||
| 263 | S | 44.5 | Very low | 58 | Low | 126 Ų | 126 | 142.3 Ų | 142.3 | 88% | 0.881 | 72% | 0.723 | S | S | * | * | trans | 62.4 | 71.7 | 172 | -144.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 264 | R | 59.3 | Low | 60.4 | Low | 235 Ų | 235 | 144.9 Ų | 144.9 | 89% | 0.887 | 71% | 0.711 | S | S | * | * | trans | -133.4 | 56.7 | 163 | -162.8 | -168.7 | 178.9 | -104 | 2.5 | 112.6 | ||||
| 265 | E | 51.9 | Low | 63 | Low | 188 Ų | 188 | 141.9 Ų | 141.9 | 88% | 0.879 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -150.8 | 107.2 | 164.1 | -146.4 | 87.8 | -107.6 | 0 | 0 | 107.2 | ||
| 266 | G | 52.2 | Low | 65.3 | Low | 66 Ų | 66 | 140 Ų | 140 | 68% | 0.68 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 117.5 | -27.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 267 | G | 59.1 | Low | 67.5 | Low | 44 Ų | 44 | 133.7 Ų | 133.7 | 45% | 0.454 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -77.6 | -40.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N270 L271 | G267-N270 WeakPolarHBondContact O-CB 3.44Å; G267-N270 PolarHBondContact O-N 2.83Å; G267-N270 VanDerWaalsContact O-N 3.15Å; G267-L271 PolarHBondContact O-N 2.97Å |
| 268 | G | 63.7 | Low | 70 | Confident | 36 Ų | 36 | 128.6 Ų | 128.6 | 37% | 0.371 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -57.9 | -55.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N270 L271 E272 | G268-N270 PolarHBondContact O-N 3.24Å; G268-L271 PolarHBondContact O-N 2.76Å; G268-E272 WeakPolarHBondContact O-CG 3.32Å; G268-E272 PolarHBondContact O-N 3.37Å |
| 269 | A | 70.6 | Confident | 72.1 | Confident | 56 Ų | 56 | 122.4 Ų | 122.4 | 46% | 0.463 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.2 | -3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | E272 K273 | A269-E272 WeakPolarHBondContact CA-OE2 3.46Å; A269-K273 VanDerWaalsContact O-CD 3.31Å; A269-K273 WeakPolarHBondContact O-CD 3.33Å; A269-K273 WeakPolarHBondContact O-CG 3.49Å |
| 270 | N | 82.6 | Confident | 74.4 | Confident | 112 Ų | 112 | 119.6 Ų | 119.6 | 60% | 0.599 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -95.1 | -45.2 | 169.2 | -165.5 | -36.3 | 0 | 0 | 0 | 110 | G267 G268 E272 K273 R274 | G267-N270 WeakPolarHBondContact O-CB 3.44Å; G267-N270 PolarHBondContact O-N 2.83Å; G267-N270 VanDerWaalsContact O-N 3.15Å; G268-N270 PolarHBondContact O-N 3.24Å; N270-E272 PolarHBondContact O-N 3.32Å; N270-K273 PolarHBondContact O-N 3.47Å; N270-R274 PolarHBondContact O-N 2.75Å |
| 271 | L | 89.8 | Confident | 76.6 | Confident | 121 Ų | 121 | 116.3 Ų | 116.3 | 63% | 0.634 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60 | -42.6 | 171.8 | -68.8 | 168.7 | 0 | 0 | 0 | 112.4 | G267 G268 R274 V275 | G267-L271 PolarHBondContact O-N 2.97Å; G268-L271 PolarHBondContact O-N 2.76Å; L271-R274 PolarHBondContact O-N 2.87Å; L271-V275 WeakPolarHBondContact O-CG2 3.29Å; L271-V275 PolarHBondContact O-N 2.98Å |
| 272 | E | 88.2 | Confident | 78.5 | Confident | 123 Ų | 123 | 108.9 Ų | 108.9 | 58% | 0.575 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -57.8 | -49.1 | 175.6 | -73.1 | 156.4 | -166.9 | 0 | 0 | 110.9 | G268 A269 N270 R274 V275 E276 | G268-E272 WeakPolarHBondContact O-CG 3.32Å; G268-E272 PolarHBondContact O-N 3.37Å; A269-E272 WeakPolarHBondContact CA-OE2 3.46Å; N270-E272 PolarHBondContact O-N 3.32Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 3.5Å; E272-V275 PolarHBondContact O-N 2.85Å; E272-V275 VanDerWaalsContact O-N 3.17Å; E272-E276 WeakPolarHBondContact O-CG 3.38Å; E272-E276 PolarHBondContact O-N 3.43Å |
| 273 | K | 91.4 | Very high | 80.7 | Confident | 141 Ų | 141 | 107.1 Ų | 107.1 | 61% | 0.613 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.2 | -37.4 | 174.7 | -71.2 | 176.5 | -175.1 | 177.8 | 0 | 113 | A269 N270 V275 E276 E277 | A269-K273 VanDerWaalsContact O-CD 3.31Å; A269-K273 WeakPolarHBondContact O-CD 3.33Å; A269-K273 WeakPolarHBondContact O-CG 3.49Å; N270-K273 PolarHBondContact O-N 3.47Å; K273-V275 VanDerWaalsContact C-N 3.33Å; K273-E276 PolarHBondContact O-N 3.49Å; K273-E277 VanDerWaalsContact O-CB 3.26Å; K273-E277 WeakPolarHBondContact O-CB 3.33Å; K273-E277 PolarHBondContact O-N 2.88Å |
| 274 | R | 93.2 | Very high | 83.2 | Confident | 123 Ų | 123 | 105.3 Ų | 105.3 | 46% | 0.464 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.2 | -30.6 | 176.9 | -174.7 | 56.1 | 179.2 | 168.3 | 7.4 | 112 | N270 L271 E272 E277 L278 | N270-R274 PolarHBondContact O-N 2.75Å; L271-R274 PolarHBondContact O-N 2.87Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 3.5Å; R274-E277 WeakPolarHBondContact CD-OE2 3.5Å; R274-E277 IonicContact CZ-OE2 3.95Å; R274-E277 IonicContact NE-OE2 3.6Å; R274-E277 IonicContact NH1-OE2 3.77Å; R274-E277 PolarHBondContact NH1-OE2 2.75Å; R274-L278 HydrophobicContact CG-CD1 4.22Å; R274-L278 WeakPolarHBondContact O-CB 3.35Å; R274-L278 WeakPolarHBondContact O-CD1 3.22Å; R274-L278 WeakPolarHBondContact O-CG 3.48Å; R274-L278 PolarHBondContact O-N 3.05Å |
| 275 | V | 94.4 | Very high | 84.8 | Confident | 80 Ų | 80 | 98.8 Ų | 98.8 | 49% | 0.485 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.6 | -44.9 | 170.3 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | L271 E272 K273 E277 L278 E279 | L271-V275 WeakPolarHBondContact O-CG2 3.29Å; L271-V275 PolarHBondContact O-N 2.98Å; E272-V275 PolarHBondContact O-N 2.85Å; E272-V275 VanDerWaalsContact O-N 3.17Å; K273-V275 VanDerWaalsContact C-N 3.33Å; V275-E277 VanDerWaalsContact C-N 3.3Å; V275-E277 PolarHBondContact O-N 3.22Å; V275-L278 PolarHBondContact O-N 3.43Å; V275-E279 VanDerWaalsContact O-CB 3.28Å; V275-E279 WeakPolarHBondContact O-CB 3.36Å; V275-E279 PolarHBondContact O-N 2.9Å |
| 276 | E | 93.7 | Very high | 86.9 | Confident | 135 Ų | 135 | 97.2 Ų | 97.2 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.7 | -40.1 | 174 | -71.5 | 177.1 | 168.1 | 0 | 0 | 112.5 | E272 K273 K280 | E272-E276 WeakPolarHBondContact O-CG 3.38Å; E272-E276 PolarHBondContact O-N 3.43Å; K273-E276 PolarHBondContact O-N 3.49Å; E276-K280 VanDerWaalsContact O-CB 3.26Å; E276-K280 WeakPolarHBondContact O-CB 3.44Å; E276-K280 PolarHBondContact O-N 3.22Å |
| 277 | E | 92.7 | Very high | 89 | Confident | 91 Ų | 91 | 101.2 Ų | 101.2 | 43% | 0.425 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -53.8 | 175.2 | -174.7 | 175 | -128 | 0 | 0 | 111.3 | K273 R274 V275 E279 K280 D281 | K273-E277 VanDerWaalsContact O-CB 3.26Å; K273-E277 WeakPolarHBondContact O-CB 3.33Å; K273-E277 PolarHBondContact O-N 2.88Å; R274-E277 WeakPolarHBondContact CD-OE2 3.5Å; R274-E277 IonicContact CZ-OE2 3.95Å; R274-E277 IonicContact NE-OE2 3.6Å; R274-E277 IonicContact NH1-OE2 3.77Å; R274-E277 PolarHBondContact NH1-OE2 2.75Å; V275-E277 VanDerWaalsContact C-N 3.3Å; V275-E277 PolarHBondContact O-N 3.22Å; E277-E279 VanDerWaalsContact C-N 3.3Å; E277-E279 PolarHBondContact O-N 3.22Å; E277-K280 WeakPolarHBondContact O-CB 3.26Å; E277-K280 PolarHBondContact O-N 3.48Å; E277-D281 VanDerWaalsContact O-CG 3.26Å; E277-D281 PolarHBondContact O-N 3.27Å |
| 278 | L | 94.8 | Very high | 90.8 | Very high | 78 Ų | 78 | 106 Ų | 106 | 41% | 0.408 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.1 | -36.3 | 176.7 | -72.2 | 168.6 | 0 | 0 | 0 | 112.7 | R274 V275 L282 | R274-L278 HydrophobicContact CG-CD1 4.22Å; R274-L278 WeakPolarHBondContact O-CB 3.35Å; R274-L278 WeakPolarHBondContact O-CD1 3.22Å; R274-L278 WeakPolarHBondContact O-CG 3.48Å; R274-L278 PolarHBondContact O-N 3.05Å; V275-L278 PolarHBondContact O-N 3.43Å; L278-L282 WeakPolarHBondContact O-CB 3.48Å; L278-L282 VanDerWaalsContact O-CG 3.27Å; L278-L282 WeakPolarHBondContact O-CG 3.3Å; L278-L282 PolarHBondContact O-N 3.03Å |
| 279 | E | 93.8 | Very high | 92.4 | Very high | 99 Ų | 99 | 110.6 Ų | 110.6 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 172.9 | -93.6 | -158.8 | -142.5 | 0 | 0 | 112.5 | V275 E277 K283 | V275-E279 VanDerWaalsContact O-CB 3.28Å; V275-E279 WeakPolarHBondContact O-CB 3.36Å; V275-E279 PolarHBondContact O-N 2.9Å; E277-E279 VanDerWaalsContact C-N 3.3Å; E277-E279 PolarHBondContact O-N 3.22Å; E279-K283 WeakPolarHBondContact O-CD 3.38Å; E279-K283 VanDerWaalsContact O-CE 3.23Å; E279-K283 WeakPolarHBondContact O-CE 3.46Å; E279-K283 WeakPolarHBondContact O-CG 3.47Å; E279-K283 PolarHBondContact O-N 2.99Å; E279-K283 IonicContact OE2-NZ 3.81Å; E279-K283 PolarHBondContact OE2-NZ 3.05Å |
| 280 | K | 95.9 | Very high | 93.6 | Very high | 128 Ų | 128 | 113.2 Ų | 113.2 | 56% | 0.557 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.1 | -43.2 | 178 | 176.5 | -167.8 | 166.2 | -143.7 | 0 | 110.6 | E276 E277 K283 L284 | E276-K280 VanDerWaalsContact O-CB 3.26Å; E276-K280 WeakPolarHBondContact O-CB 3.44Å; E276-K280 PolarHBondContact O-N 3.22Å; E277-K280 WeakPolarHBondContact O-CB 3.26Å; E277-K280 PolarHBondContact O-N 3.48Å; K280-K283 CarbonylContact O-C 3.6Å; K280-K283 WeakPolarHBondContact O-CB 3.36Å; K280-K283 PolarHBondContact O-N 2.71Å; K280-K283 VanDerWaalsContact O-N 3.13Å; K280-L284 HydrophobicContact CG-CD1 4.38Å; K280-L284 WeakPolarHBondContact O-CG 3.47Å; K280-L284 PolarHBondContact O-N 3.39Å |
| 281 | D | 94 | Very high | 94.3 | Very high | 55 Ų | 55 | 111.7 Ų | 111.7 | 29% | 0.294 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 178.9 | -63.6 | -14.1 | 0 | 0 | 0 | 110 | E277 K283 L284 D285 | E277-D281 VanDerWaalsContact O-CG 3.26Å; E277-D281 PolarHBondContact O-N 3.27Å; D281-K283 PolarHBondContact O-N 2.9Å; D281-K283 VanDerWaalsContact O-N 3.09Å; D281-L284 CarbonylContact O-C 3.54Å; D281-L284 WeakPolarHBondContact O-CA 3.26Å; D281-L284 WeakPolarHBondContact O-CB 3.37Å; D281-L284 PolarHBondContact O-N 2.93Å; D281-D285 VanDerWaalsContact O-CG 3.27Å; D281-D285 PolarHBondContact O-N 3.47Å |
| 282 | L | 93.7 | Very high | 94.7 | Very high | 89 Ų | 89 | 115.1 Ų | 115.1 | 47% | 0.466 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.8 | -25.4 | 171.4 | -75 | 170.5 | 0 | 0 | 0 | 114.3 | L278 R286 | L278-L282 WeakPolarHBondContact O-CB 3.48Å; L278-L282 VanDerWaalsContact O-CG 3.27Å; L278-L282 WeakPolarHBondContact O-CG 3.3Å; L278-L282 PolarHBondContact O-N 3.03Å; L282-R286 WeakPolarHBondContact O-CB 3.47Å; L282-R286 VanDerWaalsContact O-CD 3.31Å; L282-R286 WeakPolarHBondContact O-CD 3.32Å; L282-R286 WeakPolarHBondContact O-CG 3.44Å; L282-R286 PolarHBondContact O-N 2.91Å |
| 283 | K | 96.1 | Very high | 95.2 | Very high | 123 Ų | 123 | 114 Ų | 114 | 54% | 0.535 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -81.9 | -26.2 | 173.2 | -70.5 | 158.9 | -160.1 | 164.1 | 0 | 112.1 | E279 K280 D281 K287 | E279-K283 WeakPolarHBondContact O-CD 3.38Å; E279-K283 VanDerWaalsContact O-CE 3.23Å; E279-K283 WeakPolarHBondContact O-CE 3.46Å; E279-K283 WeakPolarHBondContact O-CG 3.47Å; E279-K283 PolarHBondContact O-N 2.99Å; E279-K283 IonicContact OE2-NZ 3.81Å; E279-K283 PolarHBondContact OE2-NZ 3.05Å; K280-K283 CarbonylContact O-C 3.6Å; K280-K283 WeakPolarHBondContact O-CB 3.36Å; K280-K283 PolarHBondContact O-N 2.71Å; K280-K283 VanDerWaalsContact O-N 3.13Å; D281-K283 PolarHBondContact O-N 2.9Å; D281-K283 VanDerWaalsContact O-N 3.09Å; K283-K287 VanDerWaalsContact O-CB 3.3Å; K283-K287 WeakPolarHBondContact O-CB 3.35Å; K283-K287 PolarHBondContact O-N 2.9Å |
| 284 | L | 96.2 | Very high | 95.5 | Very high | 89 Ų | 89 | 111.1 Ų | 111.1 | 47% | 0.466 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -78 | -50.5 | 172.9 | -70.2 | 170.9 | 0 | 0 | 0 | 110.8 | K280 D281 R286 K287 E288 | K280-L284 HydrophobicContact CG-CD1 4.38Å; K280-L284 WeakPolarHBondContact O-CG 3.47Å; K280-L284 PolarHBondContact O-N 3.39Å; D281-L284 CarbonylContact O-C 3.54Å; D281-L284 WeakPolarHBondContact O-CA 3.26Å; D281-L284 WeakPolarHBondContact O-CB 3.37Å; D281-L284 PolarHBondContact O-N 2.93Å; L284-R286 PolarHBondContact O-N 3.48Å; L284-K287 CarbonylContact O-C 3.55Å; L284-K287 WeakPolarHBondContact O-CA 3.14Å; L284-K287 WeakPolarHBondContact O-CB 3.36Å; L284-K287 PolarHBondContact O-N 3.38Å; L284-E288 PolarHBondContact O-N 2.86Å |
| 285 | D | 93.7 | Very high | 95.8 | Very high | 97 Ų | 97 | 110.6 Ų | 110.6 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -54.7 | -51.5 | 179.7 | -62.4 | -19.9 | 0 | 0 | 0 | 111.2 | D281 K287 E288 E289 | D281-D285 VanDerWaalsContact O-CG 3.27Å; D281-D285 PolarHBondContact O-N 3.47Å; D285-K287 VanDerWaalsContact C-N 3.26Å; D285-K287 PolarHBondContact O-N 3.23Å; D285-E288 PolarHBondContact O-N 2.95Å; D285-E289 WeakPolarHBondContact O-CB 3.41Å; D285-E289 PolarHBondContact O-N 3.48Å |
| 286 | R | 95.6 | Very high | 96 | Very high | 156 Ų | 156 | 109.6 Ų | 109.6 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.8 | -33.8 | 175.8 | -72.2 | 174.6 | -178.5 | 165.1 | 2.1 | 112.9 | L282 L284 L290 | L282-R286 WeakPolarHBondContact O-CB 3.47Å; L282-R286 VanDerWaalsContact O-CD 3.31Å; L282-R286 WeakPolarHBondContact O-CD 3.32Å; L282-R286 WeakPolarHBondContact O-CG 3.44Å; L282-R286 PolarHBondContact O-N 2.91Å; L284-R286 PolarHBondContact O-N 3.48Å; R286-L290 VanDerWaalsContact O-CB 3.26Å; R286-L290 WeakPolarHBondContact O-CB 3.44Å; R286-L290 WeakPolarHBondContact O-CD1 3.23Å; R286-L290 WeakPolarHBondContact O-CG 3.44Å; R286-L290 PolarHBondContact O-N 2.94Å |
| 287 | K | 95.9 | Very high | 96.2 | Very high | 149 Ų | 149 | 106.5 Ų | 106.5 | 65% | 0.648 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -73.3 | -38.9 | 178 | -178.1 | -172.6 | 173.1 | -168.3 | 0 | 110.9 | K283 L284 D285 S291 | K283-K287 VanDerWaalsContact O-CB 3.3Å; K283-K287 WeakPolarHBondContact O-CB 3.35Å; K283-K287 PolarHBondContact O-N 2.9Å; L284-K287 CarbonylContact O-C 3.55Å; L284-K287 WeakPolarHBondContact O-CA 3.14Å; L284-K287 WeakPolarHBondContact O-CB 3.36Å; L284-K287 PolarHBondContact O-N 3.38Å; D285-K287 VanDerWaalsContact C-N 3.26Å; D285-K287 PolarHBondContact O-N 3.23Å; K287-S291 VanDerWaalsContact O-CB 3.26Å; K287-S291 WeakPolarHBondContact O-CB 3.46Å; K287-S291 PolarHBondContact O-N 3.23Å |
| 288 | E | 96.5 | Very high | 96.5 | Very high | 146 Ų | 146 | 107.4 Ų | 107.4 | 68% | 0.682 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.9 | -45.7 | 175.8 | -173.6 | 168.8 | 154 | 0 | 0 | 111.2 | L284 D285 L290 S291 R292 | L284-E288 PolarHBondContact O-N 2.86Å; D285-E288 PolarHBondContact O-N 2.95Å; E288-L290 PolarHBondContact O-N 2.87Å; E288-S291 PolarHBondContact O-N 3.36Å; E288-S291 VanDerWaalsContact O-N 3.17Å; E288-R292 WeakPolarHBondContact O-CB 3.33Å; E288-R292 PolarHBondContact O-N 2.82Å |
| 289 | E | 96.9 | Very high | 96.7 | Very high | 132 Ų | 132 | 106.8 Ų | 106.8 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -55.3 | -51.5 | 173.3 | -174.8 | -171.7 | -168.6 | 0 | 0 | 111.2 | D285 S291 R292 L293 | D285-E289 WeakPolarHBondContact O-CB 3.41Å; D285-E289 PolarHBondContact O-N 3.48Å; E289-S291 VanDerWaalsContact C-N 3.35Å; E289-S291 PolarHBondContact O-N 2.97Å; E289-R292 PolarHBondContact O-N 2.98Å; E289-L293 WeakPolarHBondContact O-CB 3.49Å; E289-L293 PolarHBondContact O-N 3.17Å |
| 290 | L | 96.8 | Very high | 96.9 | Very high | 110 Ų | 110 | 108.3 Ų | 108.3 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.2 | -41 | 175.9 | -74.7 | 170.1 | 0 | 0 | 0 | 112.1 | R286 E288 L293 V294 | R286-L290 VanDerWaalsContact O-CB 3.26Å; R286-L290 WeakPolarHBondContact O-CB 3.44Å; R286-L290 WeakPolarHBondContact O-CD1 3.23Å; R286-L290 WeakPolarHBondContact O-CG 3.44Å; R286-L290 PolarHBondContact O-N 2.94Å; E288-L290 PolarHBondContact O-N 2.87Å; L290-L293 PolarHBondContact O-N 2.95Å; L290-V294 WeakPolarHBondContact O-CB 3.5Å; L290-V294 VanDerWaalsContact O-CG2 3.24Å; L290-V294 WeakPolarHBondContact O-CG2 3.2Å; L290-V294 PolarHBondContact O-N 3.09Å |
| 291 | S | 97.8 | Very high | 97 | Very high | 81 Ų | 81 | 106.5 Ų | 106.5 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.4 | -37.6 | 177.9 | -166.7 | 0 | 0 | 0 | 0 | 112.2 | K287 E288 E289 K295 | K287-S291 VanDerWaalsContact O-CB 3.26Å; K287-S291 WeakPolarHBondContact O-CB 3.46Å; K287-S291 PolarHBondContact O-N 3.23Å; E288-S291 PolarHBondContact O-N 3.36Å; E288-S291 VanDerWaalsContact O-N 3.17Å; E289-S291 VanDerWaalsContact C-N 3.35Å; E289-S291 PolarHBondContact O-N 2.97Å; S291-K295 PolarHBondContact O-N 3.39Å; S291-K295 VanDerWaalsContact O-N 3.12Å |
| 292 | R | 98 | Very high | 97.3 | Very high | 192 Ų | 192 | 108.6 Ų | 108.6 | 73% | 0.725 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.6 | -43.8 | 175.5 | -177.8 | 178.5 | 177 | -174.5 | -1.8 | 110.8 | E288 E289 K295 V296 | E288-R292 WeakPolarHBondContact O-CB 3.33Å; E288-R292 PolarHBondContact O-N 2.82Å; E289-R292 PolarHBondContact O-N 2.98Å; R292-K295 PolarHBondContact O-N 2.65Å; R292-V296 WeakPolarHBondContact O-CG2 3.45Å; R292-V296 PolarHBondContact O-N 2.99Å |
| 293 | L | 98.1 | Very high | 97.5 | Very high | 101 Ų | 101 | 108 Ų | 108 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 178.1 | -178.5 | 60.2 | 0 | 0 | 0 | 111.7 | E289 L290 K295 V296 V297 | E289-L293 WeakPolarHBondContact O-CB 3.49Å; E289-L293 PolarHBondContact O-N 3.17Å; L290-L293 PolarHBondContact O-N 2.95Å; L293-K295 VanDerWaalsContact C-N 3.3Å; L293-K295 PolarHBondContact O-N 3.49Å; L293-V296 PolarHBondContact O-N 3.19Å; L293-V297 WeakPolarHBondContact O-CG2 3.43Å; L293-V297 PolarHBondContact O-N 2.71Å |
| 294 | V | 98.5 | Very high | 97.6 | Very high | 80 Ų | 80 | 106 Ų | 106 | 49% | 0.485 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.5 | -44.4 | 174.6 | 166.3 | 0 | 0 | 0 | 0 | 110.7 | L290 V297 Q298 | L290-V294 WeakPolarHBondContact O-CB 3.5Å; L290-V294 VanDerWaalsContact O-CG2 3.24Å; L290-V294 WeakPolarHBondContact O-CG2 3.2Å; L290-V294 PolarHBondContact O-N 3.09Å; V294-V297 PolarHBondContact O-N 2.72Å; V294-Q298 WeakPolarHBondContact O-CG 3.32Å; V294-Q298 PolarHBondContact O-N 2.94Å |
| 295 | K | 98.5 | Very high | 97.8 | Very high | 112 Ų | 112 | 107.3 Ų | 107.3 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 175.8 | -161.4 | -158.5 | 174.1 | -121.6 | 0 | 112 | S291 R292 L293 V297 Q298 D299 | S291-K295 PolarHBondContact O-N 3.39Å; S291-K295 VanDerWaalsContact O-N 3.12Å; R292-K295 PolarHBondContact O-N 2.65Å; L293-K295 VanDerWaalsContact C-N 3.3Å; L293-K295 PolarHBondContact O-N 3.49Å; K295-V297 PolarHBondContact O-N 2.83Å; K295-Q298 PolarHBondContact O-N 3.28Å; K295-Q298 VanDerWaalsContact O-N 3.12Å; K295-D299 VanDerWaalsContact CE-OD1 3.28Å; K295-D299 WeakPolarHBondContact CE-OD1 3.39Å; K295-D299 WeakPolarHBondContact CE-OD2 3.28Å; K295-D299 IonicContact NZ-OD1 3.63Å; K295-D299 PolarHBondContact NZ-OD1 3.17Å; K295-D299 IonicContact NZ-OD2 2.64Å; K295-D299 PolarHBondContact NZ-OD2 2.84Å; K295-D299 WeakPolarHBondContact O-CB 3.42Å; K295-D299 VanDerWaalsContact O-CG 3.25Å; K295-D299 PolarHBondContact O-N 3.19Å |
| 296 | V | 98.6 | Very high | 98 | Very high | 58 Ų | 58 | 107.6 Ų | 107.6 | 35% | 0.352 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -26.7 | 178.4 | 169 | 0 | 0 | 0 | 0 | 112.5 | R292 L293 K300 | R292-V296 WeakPolarHBondContact O-CG2 3.45Å; R292-V296 PolarHBondContact O-N 2.99Å; L293-V296 PolarHBondContact O-N 3.19Å; V296-K300 HydrophobicContact CG1-CD 4.37Å; V296-K300 WeakPolarHBondContact O-CB 3.31Å; V296-K300 WeakPolarHBondContact O-CD 3.41Å; V296-K300 WeakPolarHBondContact O-CG 3.43Å; V296-K300 PolarHBondContact O-N 2.79Å |
| 297 | V | 98.5 | Very high | 98.2 | Very high | 70 Ų | 70 | 105.1 Ų | 105.1 | 42% | 0.424 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.5 | -48.6 | 170 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L293 V294 K295 K300 D301 | L293-V297 WeakPolarHBondContact O-CG2 3.43Å; L293-V297 PolarHBondContact O-N 2.71Å; V294-V297 PolarHBondContact O-N 2.72Å; K295-V297 PolarHBondContact O-N 2.83Å; V297-K300 CarbonylContact O-C 3.59Å; V297-K300 WeakPolarHBondContact O-CA 3.41Å; V297-K300 WeakPolarHBondContact O-CB 3.37Å; V297-K300 PolarHBondContact O-N 3.44Å; V297-K300 VanDerWaalsContact O-N 3.08Å; V297-D301 WeakPolarHBondContact CG1-OD2 3.26Å; V297-D301 PolarHBondContact O-N 3.12Å |
| 298 | Q | 98.7 | Very high | 98.3 | Very high | 110 Ų | 110 | 103.5 Ų | 103.5 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 177.2 | -70.6 | 171.4 | -26.5 | 0 | 0 | 112.8 | V294 K295 K300 D301 E302 | V294-Q298 WeakPolarHBondContact O-CG 3.32Å; V294-Q298 PolarHBondContact O-N 2.94Å; K295-Q298 PolarHBondContact O-N 3.28Å; K295-Q298 VanDerWaalsContact O-N 3.12Å; Q298-K300 PolarHBondContact O-N 3.27Å; Q298-K300 VanDerWaalsContact O-N 3.15Å; Q298-D301 PolarHBondContact O-N 2.98Å; Q298-E302 PolarHBondContact O-N 3.41Å |
| 299 | D | 98.5 | Very high | 98.4 | Very high | 66 Ų | 66 | 101.8 Ų | 101.8 | 35% | 0.353 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.2 | -28.3 | 175.8 | -68.8 | -12.3 | 0 | 0 | 0 | 111.4 | K295 V303 | K295-D299 VanDerWaalsContact CE-OD1 3.28Å; K295-D299 WeakPolarHBondContact CE-OD1 3.39Å; K295-D299 WeakPolarHBondContact CE-OD2 3.28Å; K295-D299 IonicContact NZ-OD1 3.63Å; K295-D299 PolarHBondContact NZ-OD1 3.17Å; K295-D299 IonicContact NZ-OD2 2.64Å; K295-D299 PolarHBondContact NZ-OD2 2.84Å; K295-D299 WeakPolarHBondContact O-CB 3.42Å; K295-D299 VanDerWaalsContact O-CG 3.25Å; K295-D299 PolarHBondContact O-N 3.19Å; D299-V303 WeakPolarHBondContact O-CG2 3.21Å |
| 300 | K | 98.7 | Very high | 98.5 | Very high | 131 Ų | 131 | 100.5 Ų | 100.5 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -84.9 | -40.9 | 175.3 | -77.2 | 174 | -177.7 | 178.4 | 0 | 113.3 | V296 V297 Q298 E302 V303 I304 | V296-K300 HydrophobicContact CG1-CD 4.37Å; V296-K300 WeakPolarHBondContact O-CB 3.31Å; V296-K300 WeakPolarHBondContact O-CD 3.41Å; V296-K300 WeakPolarHBondContact O-CG 3.43Å; V296-K300 PolarHBondContact O-N 2.79Å; V297-K300 CarbonylContact O-C 3.59Å; V297-K300 WeakPolarHBondContact O-CA 3.41Å; V297-K300 WeakPolarHBondContact O-CB 3.37Å; V297-K300 PolarHBondContact O-N 3.44Å; V297-K300 VanDerWaalsContact O-N 3.08Å; Q298-K300 PolarHBondContact O-N 3.27Å; Q298-K300 VanDerWaalsContact O-N 3.15Å; K300-E302 VanDerWaalsContact C-N 3.27Å; K300-E302 PolarHBondContact O-N 3.15Å; K300-V303 PolarHBondContact O-N 2.99Å; K300-I304 WeakPolarHBondContact O-CG1 3.36Å; K300-I304 PolarHBondContact O-N 3.41Å |
| 301 | D | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 100 Ų | 100 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 177.1 | -73.5 | -32.1 | 0 | 0 | 0 | 110.6 | V297 Q298 V303 I304 E305 | V297-D301 WeakPolarHBondContact CG1-OD2 3.26Å; V297-D301 PolarHBondContact O-N 3.12Å; Q298-D301 PolarHBondContact O-N 2.98Å; D301-V303 VanDerWaalsContact C-N 3.31Å; D301-V303 PolarHBondContact O-N 3.38Å; D301-I304 PolarHBondContact O-N 2.61Å; D301-E305 WeakPolarHBondContact O-CB 3.15Å; D301-E305 PolarHBondContact O-N 3.47Å |
| 302 | E | 98.8 | Very high | 98.6 | Very high | 100 Ų | 100 | 102.9 Ų | 102.9 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.5 | -36.4 | 170.2 | -89.7 | -160.7 | -136.9 | 0 | 0 | 113.9 | Q298 K300 K306 | Q298-E302 PolarHBondContact O-N 3.41Å; K300-E302 VanDerWaalsContact C-N 3.27Å; K300-E302 PolarHBondContact O-N 3.15Å; E302-K306 VanDerWaalsContact O-CD 3.23Å; E302-K306 WeakPolarHBondContact O-CD 3.35Å; E302-K306 WeakPolarHBondContact O-CE 3.39Å; E302-K306 WeakPolarHBondContact O-CG 3.24Å; E302-K306 PolarHBondContact O-N 3.47Å; E302-K306 IonicContact OE2-NZ 2.69Å; E302-K306 PolarHBondContact OE2-NZ 3.08Å |
| 303 | V | 98.8 | Very high | 98.7 | Very high | 77 Ų | 77 | 98.3 Ų | 98.3 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.6 | -36.7 | 177 | 170 | 0 | 0 | 0 | 0 | 110.5 | D299 K300 D301 E305 L307 | D299-V303 WeakPolarHBondContact O-CG2 3.21Å; K300-V303 PolarHBondContact O-N 2.99Å; D301-V303 VanDerWaalsContact C-N 3.31Å; D301-V303 PolarHBondContact O-N 3.38Å; V303-E305 VanDerWaalsContact C-N 3.3Å; V303-E305 PolarHBondContact O-N 3.25Å; V303-L307 HydrophobicContact CG1-CD1 3.91Å; V303-L307 HydrophobicContact CG1-CG 4.41Å; V303-L307 WeakPolarHBondContact O-CB 3.33Å; V303-L307 VanDerWaalsContact O-CG 3.26Å; V303-L307 WeakPolarHBondContact O-CG 3.4Å; V303-L307 PolarHBondContact O-N 2.93Å |
| 304 | I | 98.8 | Very high | 98.7 | Very high | 80 Ų | 80 | 97.9 Ų | 97.9 | 41% | 0.41 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.7 | -33.8 | 174.3 | -70.3 | 164.4 | 0 | 0 | 0 | 111.2 | K300 D301 K308 | K300-I304 WeakPolarHBondContact O-CG1 3.36Å; K300-I304 PolarHBondContact O-N 3.41Å; D301-I304 PolarHBondContact O-N 2.61Å; I304-K308 WeakPolarHBondContact O-CD 3.37Å; I304-K308 VanDerWaalsContact O-CG 3.27Å; I304-K308 WeakPolarHBondContact O-CG 3.19Å; I304-K308 PolarHBondContact O-N 2.91Å |
| 305 | E | 98.8 | Very high | 98.7 | Very high | 116 Ų | 116 | 98.1 Ų | 98.1 | 54% | 0.542 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.4 | -55.7 | 173.3 | -171.8 | 164.6 | -133.6 | 0 | 0 | 111.2 | D301 V303 L307 K308 E309 | D301-E305 WeakPolarHBondContact O-CB 3.15Å; D301-E305 PolarHBondContact O-N 3.47Å; V303-E305 VanDerWaalsContact C-N 3.3Å; V303-E305 PolarHBondContact O-N 3.25Å; E305-L307 VanDerWaalsContact C-N 3.26Å; E305-L307 PolarHBondContact O-N 2.79Å; E305-K308 WeakPolarHBondContact O-CA 3.28Å; E305-K308 WeakPolarHBondContact O-CB 3.37Å; E305-K308 PolarHBondContact O-N 3.01Å; E305-E309 PolarHBondContact O-N 2.93Å |
| 306 | K | 98.8 | Very high | 98.7 | Very high | 104 Ų | 104 | 97.9 Ų | 97.9 | 45% | 0.452 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.2 | -35.3 | 178.4 | -66.8 | 157 | -164.2 | 150.1 | 0 | 113 | E302 E309 E310 | E302-K306 VanDerWaalsContact O-CD 3.23Å; E302-K306 WeakPolarHBondContact O-CD 3.35Å; E302-K306 WeakPolarHBondContact O-CE 3.39Å; E302-K306 WeakPolarHBondContact O-CG 3.24Å; E302-K306 PolarHBondContact O-N 3.47Å; E302-K306 IonicContact OE2-NZ 2.69Å; E302-K306 PolarHBondContact OE2-NZ 3.08Å; K306-E309 PolarHBondContact O-N 3.29Å; K306-E310 PolarHBondContact O-N 2.97Å |
| 307 | L | 98.8 | Very high | 98.7 | Very high | 104 Ų | 104 | 98.7 Ų | 98.7 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.5 | -24.2 | 174.8 | -72.8 | 172.4 | 0 | 0 | 0 | 113.5 | V303 E305 I311 | V303-L307 HydrophobicContact CG1-CD1 3.91Å; V303-L307 HydrophobicContact CG1-CG 4.41Å; V303-L307 WeakPolarHBondContact O-CB 3.33Å; V303-L307 VanDerWaalsContact O-CG 3.26Å; V303-L307 WeakPolarHBondContact O-CG 3.4Å; V303-L307 PolarHBondContact O-N 2.93Å; E305-L307 VanDerWaalsContact C-N 3.26Å; E305-L307 PolarHBondContact O-N 2.79Å; L307-I311 VanDerWaalsContact O-CD1 3.3Å; L307-I311 WeakPolarHBondContact O-CD1 3.35Å; L307-I311 WeakPolarHBondContact O-CG1 3.34Å; L307-I311 PolarHBondContact O-N 2.91Å |
| 308 | K | 98.8 | Very high | 98.7 | Very high | 115 Ų | 115 | 99.4 Ų | 99.4 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.2 | -44.2 | 169.6 | -69.4 | 159.8 | -173.7 | 166.1 | 0 | 110.8 | I304 E305 E310 I311 E312 | I304-K308 WeakPolarHBondContact O-CD 3.37Å; I304-K308 VanDerWaalsContact O-CG 3.27Å; I304-K308 WeakPolarHBondContact O-CG 3.19Å; I304-K308 PolarHBondContact O-N 2.91Å; E305-K308 WeakPolarHBondContact O-CA 3.28Å; E305-K308 WeakPolarHBondContact O-CB 3.37Å; E305-K308 PolarHBondContact O-N 3.01Å; K308-E310 VanDerWaalsContact C-N 3.32Å; K308-E310 PolarHBondContact O-N 3.48Å; K308-I311 CarbonylContact O-C 3.58Å; K308-I311 PolarHBondContact O-N 3.44Å; K308-I311 VanDerWaalsContact O-N 3.08Å; K308-E312 WeakPolarHBondContact O-CG 3.28Å; K308-E312 PolarHBondContact O-N 3.12Å |
| 309 | E | 98.8 | Very high | 98.7 | Very high | 110 Ų | 110 | 98.9 Ų | 98.9 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.1 | -46.7 | 176.1 | -65.1 | 179.4 | 141.5 | 0 | 0 | 111.1 | E305 K306 I311 E312 L313 | E305-E309 PolarHBondContact O-N 2.93Å; K306-E309 PolarHBondContact O-N 3.29Å; E309-I311 PolarHBondContact O-N 2.92Å; E309-E312 PolarHBondContact O-N 3.37Å; E309-L313 WeakPolarHBondContact O-CG 3.48Å; E309-L313 PolarHBondContact O-N 2.7Å |
| 310 | E | 98.6 | Very high | 98.7 | Very high | 105 Ų | 105 | 102.3 Ų | 102.3 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 174.4 | -175.7 | 72.4 | -174.9 | 0 | 0 | 112.2 | K306 K308 L313 L314 | K306-E310 PolarHBondContact O-N 2.97Å; K308-E310 VanDerWaalsContact C-N 3.32Å; K308-E310 PolarHBondContact O-N 3.48Å; E310-L313 PolarHBondContact O-N 2.87Å; E310-L314 HydrophobicContact CG-CD1 4Å; E310-L314 WeakPolarHBondContact O-CB 3.12Å; E310-L314 VanDerWaalsContact O-CG 3.23Å; E310-L314 WeakPolarHBondContact O-CG 3.45Å; E310-L314 PolarHBondContact O-N 3.17Å |
| 311 | I | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 102.1 Ų | 102.1 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 175.8 | -73.1 | 167.5 | 0 | 0 | 0 | 111.1 | L307 K308 E309 L314 N315 | L307-I311 VanDerWaalsContact O-CD1 3.3Å; L307-I311 WeakPolarHBondContact O-CD1 3.35Å; L307-I311 WeakPolarHBondContact O-CG1 3.34Å; L307-I311 PolarHBondContact O-N 2.91Å; K308-I311 CarbonylContact O-C 3.58Å; K308-I311 PolarHBondContact O-N 3.44Å; K308-I311 VanDerWaalsContact O-N 3.08Å; E309-I311 PolarHBondContact O-N 2.92Å; I311-L314 PolarHBondContact O-N 3.43Å; I311-N315 WeakPolarHBondContact CG2-ND2 3.11Å; I311-N315 PolarHBondContact O-N 3.27Å; I311-N315 PolarHBondContact O-ND2 3.22Å |
| 312 | E | 98.8 | Very high | 98.7 | Very high | 140 Ų | 140 | 104 Ų | 104 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.5 | -40.3 | 178.1 | -73.6 | 174.5 | -157.6 | 0 | 0 | 111.3 | K308 E309 L316 | K308-E312 WeakPolarHBondContact O-CG 3.28Å; K308-E312 PolarHBondContact O-N 3.12Å; E309-E312 PolarHBondContact O-N 3.37Å; E312-L316 PolarHBondContact O-N 2.84Å; E312-L316 VanDerWaalsContact O-N 3.14Å |
| 313 | L | 98.8 | Very high | 98.7 | Very high | 96 Ų | 96 | 105.3 Ų | 105.3 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 171.8 | -69.5 | 171.2 | 0 | 0 | 0 | 112.3 | E309 E310 N315 L316 D317 | E309-L313 WeakPolarHBondContact O-CG 3.48Å; E309-L313 PolarHBondContact O-N 2.7Å; E310-L313 PolarHBondContact O-N 2.87Å; L313-N315 VanDerWaalsContact C-N 3.25Å; L313-N315 PolarHBondContact O-N 2.8Å; L313-L316 WeakPolarHBondContact O-CB 3.11Å; L313-L316 PolarHBondContact O-N 2.69Å; L313-D317 PolarHBondContact O-N 2.82Å |
| 314 | L | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 106.7 Ų | 106.7 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -25.4 | 179.7 | -73 | 171.2 | 0 | 0 | 0 | 113.7 | E310 I311 L318 | E310-L314 HydrophobicContact CG-CD1 4Å; E310-L314 WeakPolarHBondContact O-CB 3.12Å; E310-L314 VanDerWaalsContact O-CG 3.23Å; E310-L314 WeakPolarHBondContact O-CG 3.45Å; E310-L314 PolarHBondContact O-N 3.17Å; I311-L314 PolarHBondContact O-N 3.43Å; L314-L318 WeakPolarHBondContact O-CB 3.26Å; L314-L318 PolarHBondContact O-N 2.83Å |
| 315 | N | 98.6 | Very high | 98.7 | Very high | 85 Ų | 85 | 107 Ų | 107 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -75.3 | -39 | 169.8 | -73 | -65.6 | 0 | 0 | 0 | 111.5 | I311 L313 L318 D319 | I311-N315 WeakPolarHBondContact CG2-ND2 3.11Å; I311-N315 PolarHBondContact O-N 3.27Å; I311-N315 PolarHBondContact O-ND2 3.22Å; L313-N315 VanDerWaalsContact C-N 3.25Å; L313-N315 PolarHBondContact O-N 2.8Å; N315-L318 WeakPolarHBondContact O-CB 3.23Å; N315-L318 PolarHBondContact O-N 2.93Å; N315-D319 PolarHBondContact O-N 2.75Å |
| 316 | L | 98.8 | Very high | 98.7 | Very high | 107 Ų | 107 | 105.4 Ų | 105.4 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | 176.2 | -177.7 | 65.5 | 0 | 0 | 0 | 112 | E312 L313 L318 D319 E320 | E312-L316 PolarHBondContact O-N 2.84Å; E312-L316 VanDerWaalsContact O-N 3.14Å; L313-L316 WeakPolarHBondContact O-CB 3.11Å; L313-L316 PolarHBondContact O-N 2.69Å; L316-L318 VanDerWaalsContact C-N 3.27Å; L316-L318 PolarHBondContact O-N 3.14Å; L316-D319 PolarHBondContact O-N 3.28Å; L316-E320 PolarHBondContact O-N 3.13Å |
| 317 | D | 98.8 | Very high | 98.7 | Very high | 74 Ų | 74 | 105.8 Ų | 105.8 | 40% | 0.396 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 172.6 | -77.2 | 13.2 | 0 | 0 | 0 | 111 | L313 E320 F321 | L313-D317 PolarHBondContact O-N 2.82Å; D317-E320 PolarHBondContact O-N 2.98Å; D317-F321 HydrophobicContact CB-CE2 4.2Å; D317-F321 WeakPolarHBondContact O-CD2 3.44Å; D317-F321 WeakPolarHBondContact O-CG 3.3Å; D317-F321 PolarHBondContact O-N 3.43Å |
| 318 | L | 98.8 | Very high | 98.7 | Very high | 85 Ų | 85 | 104.2 Ų | 104.2 | 45% | 0.445 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -43.6 | 178.8 | -174.1 | 150.1 | 0 | 0 | 0 | 111.9 | L314 N315 L316 F321 E322 | L314-L318 WeakPolarHBondContact O-CB 3.26Å; L314-L318 PolarHBondContact O-N 2.83Å; N315-L318 WeakPolarHBondContact O-CB 3.23Å; N315-L318 PolarHBondContact O-N 2.93Å; L316-L318 VanDerWaalsContact C-N 3.27Å; L316-L318 PolarHBondContact O-N 3.14Å; L318-F321 PolarHBondContact O-N 2.92Å; L318-E322 HydrophobicContact CD2-CG 4.22Å; L318-E322 PolarHBondContact O-N 2.64Å |
| 319 | D | 98.6 | Very high | 98.7 | Very high | 100 Ų | 100 | 103.3 Ų | 103.3 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 174.4 | -73.3 | -16.5 | 0 | 0 | 0 | 111 | N315 L316 F321 E322 D323 | N315-D319 PolarHBondContact O-N 2.75Å; L316-D319 PolarHBondContact O-N 3.28Å; D319-F321 PolarHBondContact O-N 2.84Å; D319-E322 PolarHBondContact O-N 3.19Å; D319-D323 PolarHBondContact O-N 3.49Å; D319-D323 VanDerWaalsContact O-N 3.08Å |
| 320 | E | 98.8 | Very high | 98.7 | Very high | 137 Ų | 137 | 103.3 Ų | 103.3 | 64% | 0.64 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 175.8 | -175.4 | 169.3 | -162.5 | 0 | 0 | 112 | L316 D317 D323 E324 | L316-E320 PolarHBondContact O-N 3.13Å; D317-E320 PolarHBondContact O-N 2.98Å; E320-D323 PolarHBondContact O-N 3.13Å; E320-E324 PolarHBondContact O-N 2.96Å |
| 321 | F | 98.7 | Very high | 98.7 | Very high | 128 Ų | 128 | 102.6 Ų | 102.6 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.3 | -29.5 | 175 | -66.7 | -47.5 | 0 | 0 | 0 | 113.6 | D317 L318 D319 N325 | D317-F321 HydrophobicContact CB-CE2 4.2Å; D317-F321 WeakPolarHBondContact O-CD2 3.44Å; D317-F321 WeakPolarHBondContact O-CG 3.3Å; D317-F321 PolarHBondContact O-N 3.43Å; L318-F321 PolarHBondContact O-N 2.92Å; D319-F321 PolarHBondContact O-N 2.84Å; F321-N325 WeakPolarHBondContact O-CB 3.38Å; F321-N325 PolarHBondContact O-N 2.81Å; F321-N325 VanDerWaalsContact O-N 3.11Å |
| 322 | E | 98.8 | Very high | 98.7 | Very high | 128 Ų | 128 | 102.5 Ų | 102.5 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.8 | -41 | 173.6 | -73.3 | -156.2 | 174.8 | 0 | 0 | 111.8 | L318 D319 N325 E326 | L318-E322 HydrophobicContact CD2-CG 4.22Å; L318-E322 PolarHBondContact O-N 2.64Å; D319-E322 PolarHBondContact O-N 3.19Å; E322-N325 PolarHBondContact O-N 3.33Å; E322-E326 PolarHBondContact O-N 3.2Å |
| 323 | D | 98.8 | Very high | 98.7 | Very high | 128 Ų | 128 | 103.3 Ų | 103.3 | 68% | 0.684 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.2 | -46.7 | 175 | -98.4 | -6.3 | 0 | 0 | 0 | 112.3 | D319 E320 N325 E326 Q327 | D319-D323 PolarHBondContact O-N 3.49Å; D319-D323 VanDerWaalsContact O-N 3.08Å; E320-D323 PolarHBondContact O-N 3.13Å; D323-N325 VanDerWaalsContact C-N 3.31Å; D323-N325 PolarHBondContact O-N 3.09Å; D323-E326 PolarHBondContact O-N 3.29Å; D323-Q327 PolarHBondContact O-N 2.97Å |
| 324 | E | 98.7 | Very high | 98.7 | Very high | 106 Ų | 106 | 102.8 Ų | 102.8 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 175.4 | -171.3 | -167.7 | -172.2 | 0 | 0 | 110.7 | E320 E326 Q327 L328 | E320-E324 PolarHBondContact O-N 2.96Å; E324-E326 PolarHBondContact O-N 3.46Å; E324-Q327 WeakPolarHBondContact O-CB 3.27Å; E324-Q327 PolarHBondContact O-N 3.19Å; E324-L328 HydrophobicContact CG-CD1 4.07Å; E324-L328 HydrophobicContact CG-CG 4.44Å; E324-L328 WeakPolarHBondContact O-CB 3.33Å; E324-L328 WeakPolarHBondContact O-CG 3.4Å; E324-L328 PolarHBondContact O-N 2.92Å |
| 325 | N | 98.6 | Very high | 98.7 | Very high | 86 Ų | 86 | 103.3 Ų | 103.3 | 46% | 0.46 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 178.9 | -177.1 | 12.2 | 0 | 0 | 0 | 111.4 | F321 E322 D323 L328 K329 | F321-N325 WeakPolarHBondContact O-CB 3.38Å; F321-N325 PolarHBondContact O-N 2.81Å; F321-N325 VanDerWaalsContact O-N 3.11Å; E322-N325 PolarHBondContact O-N 3.33Å; D323-N325 VanDerWaalsContact C-N 3.31Å; D323-N325 PolarHBondContact O-N 3.09Å; N325-L328 PolarHBondContact O-N 2.96Å; N325-K329 VanDerWaalsContact C-CE 3.46Å; N325-K329 VanDerWaalsContact CG-CE 3.42Å; N325-K329 WeakPolarHBondContact O-CE 3.47Å; N325-K329 WeakPolarHBondContact O-CG 3.43Å; N325-K329 PolarHBondContact O-N 3.3Å; N325-K329 WeakPolarHBondContact OD1-CE 3.48Å |
| 326 | E | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 105.5 Ų | 105.5 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 175.6 | -169.3 | 56 | -143.3 | 0 | 0 | 112.9 | E322 D323 E324 K329 Q330 | E322-E326 PolarHBondContact O-N 3.2Å; D323-E326 PolarHBondContact O-N 3.29Å; E324-E326 PolarHBondContact O-N 3.46Å; E326-K329 PolarHBondContact O-N 3.39Å; E326-K329 WeakPolarHBondContact OE2-CD 3.43Å; E326-K329 WeakPolarHBondContact OE2-CE 3.37Å; E326-K329 IonicContact OE2-NZ 3.71Å; E326-K329 PolarHBondContact OE2-NZ 2.87Å; E326-Q330 WeakPolarHBondContact O-CG 3.41Å; E326-Q330 PolarHBondContact O-N 2.8Å |
| 327 | Q | 98.8 | Very high | 98.7 | Very high | 111 Ų | 111 | 107.3 Ų | 107.3 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.8 | -50.6 | 168 | 178.2 | 179.8 | -30.1 | 0 | 0 | 110.7 | D323 E324 K329 Q330 E331 | D323-Q327 PolarHBondContact O-N 2.97Å; E324-Q327 WeakPolarHBondContact O-CB 3.27Å; E324-Q327 PolarHBondContact O-N 3.19Å; Q327-K329 VanDerWaalsContact C-N 3.28Å; Q327-K329 PolarHBondContact O-N 2.83Å; Q327-Q330 WeakPolarHBondContact O-CA 3.43Å; Q327-Q330 WeakPolarHBondContact O-CB 3.49Å; Q327-Q330 PolarHBondContact O-N 3.16Å; Q327-E331 HydrophobicContact CG-CG 4.43Å; Q327-E331 PolarHBondContact NE2-OE1 3.01Å; Q327-E331 PolarHBondContact O-N 3.33Å |
| 328 | L | 98.8 | Very high | 98.7 | Very high | 72 Ų | 72 | 107.1 Ų | 107.1 | 38% | 0.377 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -34.7 | 179.2 | -71.3 | 171.2 | 0 | 0 | 0 | 112.2 | E324 N325 N332 | E324-L328 HydrophobicContact CG-CD1 4.07Å; E324-L328 HydrophobicContact CG-CG 4.44Å; E324-L328 WeakPolarHBondContact O-CB 3.33Å; E324-L328 WeakPolarHBondContact O-CG 3.4Å; E324-L328 PolarHBondContact O-N 2.92Å; N325-L328 PolarHBondContact O-N 2.96Å; L328-N332 VanDerWaalsContact O-CB 3.32Å; L328-N332 WeakPolarHBondContact O-CB 3.36Å; L328-N332 PolarHBondContact O-N 3.26Å; L328-N332 PolarHBondContact O-ND2 2.96Å |
| 329 | K | 98.8 | Very high | 98.6 | Very high | 95 Ų | 95 | 106.8 Ų | 106.8 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 170.5 | -81.7 | 170.3 | -100.6 | 154.7 | 0 | 111.5 | N325 E326 Q327 K333 | N325-K329 VanDerWaalsContact C-CE 3.46Å; N325-K329 VanDerWaalsContact CG-CE 3.42Å; N325-K329 WeakPolarHBondContact O-CE 3.47Å; N325-K329 WeakPolarHBondContact O-CG 3.43Å; N325-K329 PolarHBondContact O-N 3.3Å; N325-K329 WeakPolarHBondContact OD1-CE 3.48Å; E326-K329 PolarHBondContact O-N 3.39Å; E326-K329 WeakPolarHBondContact OE2-CD 3.43Å; E326-K329 WeakPolarHBondContact OE2-CE 3.37Å; E326-K329 IonicContact OE2-NZ 3.71Å; E326-K329 PolarHBondContact OE2-NZ 2.87Å; Q327-K329 VanDerWaalsContact C-N 3.28Å; Q327-K329 PolarHBondContact O-N 2.83Å; K329-K333 WeakPolarHBondContact O-CB 3.46Å; K329-K333 PolarHBondContact O-N 2.97Å |
| 330 | Q | 98.8 | Very high | 98.6 | Very high | 110 Ų | 110 | 102.8 Ų | 102.8 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.2 | -38.7 | 178.1 | -68.4 | 177.4 | 52.5 | 0 | 0 | 112.9 | E326 Q327 T334 | E326-Q330 WeakPolarHBondContact O-CG 3.41Å; E326-Q330 PolarHBondContact O-N 2.8Å; Q327-Q330 WeakPolarHBondContact O-CA 3.43Å; Q327-Q330 WeakPolarHBondContact O-CB 3.49Å; Q327-Q330 PolarHBondContact O-N 3.16Å; Q330-T334 WeakPolarHBondContact O-CB 3.25Å; Q330-T334 PolarHBondContact O-N 3.47Å; Q330-T334 PolarHBondContact O-OG1 3.02Å |
| 331 | E | 98.4 | Very high | 98.5 | Very high | 90 Ų | 90 | 102.2 Ų | 102.2 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -50.7 | 173.6 | -72.2 | -174.5 | -160.3 | 0 | 0 | 111.4 | Q327 K333 T334 L335 | Q327-E331 HydrophobicContact CG-CG 4.43Å; Q327-E331 PolarHBondContact NE2-OE1 3.01Å; Q327-E331 PolarHBondContact O-N 3.33Å; E331-K333 VanDerWaalsContact C-N 3.32Å; E331-K333 PolarHBondContact O-N 3.17Å; E331-T334 CarbonylContact O-C 3.56Å; E331-T334 WeakPolarHBondContact O-CA 3.26Å; E331-T334 WeakPolarHBondContact O-CB 3.41Å; E331-T334 PolarHBondContact O-N 2.86Å; E331-L335 WeakPolarHBondContact O-CG 3.26Å; E331-L335 PolarHBondContact O-N 3.48Å |
| 332 | N | 98.6 | Very high | 98.5 | Very high | 98 Ų | 98 | 102.9 Ų | 102.9 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 177.4 | -81.6 | -69.8 | 0 | 0 | 0 | 112.4 | L328 T334 L335 L336 | L328-N332 VanDerWaalsContact O-CB 3.32Å; L328-N332 WeakPolarHBondContact O-CB 3.36Å; L328-N332 PolarHBondContact O-N 3.26Å; L328-N332 PolarHBondContact O-ND2 2.96Å; N332-T334 VanDerWaalsContact C-N 3.27Å; N332-T334 PolarHBondContact O-N 3.4Å; N332-L335 PolarHBondContact O-N 3.33Å; N332-L336 VanDerWaalsContact O-CB 3.3Å; N332-L336 WeakPolarHBondContact O-CB 3.2Å; N332-L336 PolarHBondContact O-N 2.83Å |
| 333 | K | 98.8 | Very high | 98.3 | Very high | 157 Ų | 157 | 101.8 Ų | 101.8 | 68% | 0.683 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.8 | -35.5 | 172.6 | 179.5 | 180 | -179.1 | 179.5 | 0 | 112.4 | K329 E331 K337 | K329-K333 WeakPolarHBondContact O-CB 3.46Å; K329-K333 PolarHBondContact O-N 2.97Å; E331-K333 VanDerWaalsContact C-N 3.32Å; E331-K333 PolarHBondContact O-N 3.17Å; K333-K337 WeakPolarHBondContact O-CB 3.46Å; K333-K337 PolarHBondContact O-N 3.37Å |
| 334 | T | 98.6 | Very high | 97.1 | Very high | 85 Ų | 85 | 107.9 Ų | 107.9 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -74.7 | -45.3 | 176.7 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | Q330 E331 N332 L336 K337 V338 | Q330-T334 WeakPolarHBondContact O-CB 3.25Å; Q330-T334 PolarHBondContact O-N 3.47Å; Q330-T334 PolarHBondContact O-OG1 3.02Å; E331-T334 CarbonylContact O-C 3.56Å; E331-T334 WeakPolarHBondContact O-CA 3.26Å; E331-T334 WeakPolarHBondContact O-CB 3.41Å; E331-T334 PolarHBondContact O-N 2.86Å; N332-T334 VanDerWaalsContact C-N 3.27Å; N332-T334 PolarHBondContact O-N 3.4Å; T334-L336 PolarHBondContact O-N 3.18Å; T334-K337 WeakPolarHBondContact O-CB 3.43Å; T334-K337 PolarHBondContact O-N 2.98Å; T334-V338 WeakPolarHBondContact O-CG2 3.41Å; T334-V338 PolarHBondContact O-N 2.89Å |
| 335 | L | 98.6 | Very high | 97 | Very high | 105 Ų | 105 | 108 Ų | 108 | 55% | 0.55 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 174 | -69.5 | 173.1 | 0 | 0 | 0 | 111.4 | E331 N332 K337 V338 V339 | E331-L335 WeakPolarHBondContact O-CG 3.26Å; E331-L335 PolarHBondContact O-N 3.48Å; N332-L335 PolarHBondContact O-N 3.33Å; L335-K337 VanDerWaalsContact C-N 3.29Å; L335-K337 PolarHBondContact O-N 3.39Å; L335-V338 PolarHBondContact O-N 2.87Å; L335-V338 VanDerWaalsContact O-N 3.15Å; L335-V339 WeakPolarHBondContact O-CG2 3.39Å; L335-V339 PolarHBondContact O-N 3.39Å |
| 336 | L | 98.4 | Very high | 96.9 | Very high | 131 Ų | 131 | 109.1 Ų | 109.1 | 69% | 0.686 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.4 | -36.7 | 177.2 | -174 | 63.9 | 0 | 0 | 0 | 112.2 | N332 T334 G340 | N332-L336 VanDerWaalsContact O-CB 3.3Å; N332-L336 WeakPolarHBondContact O-CB 3.2Å; N332-L336 PolarHBondContact O-N 2.83Å; T334-L336 PolarHBondContact O-N 3.18Å; L336-G340 PolarHBondContact O-N 3.04Å |
| 337 | K | 98.4 | Very high | 96.8 | Very high | 144 Ų | 144 | 110.6 Ų | 110.6 | 63% | 0.626 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66 | -41.8 | 174 | -175.9 | -176.8 | 177.1 | -173.9 | 0 | 112.1 | K333 T334 L335 Q341 | K333-K337 WeakPolarHBondContact O-CB 3.46Å; K333-K337 PolarHBondContact O-N 3.37Å; T334-K337 WeakPolarHBondContact O-CB 3.43Å; T334-K337 PolarHBondContact O-N 2.98Å; L335-K337 VanDerWaalsContact C-N 3.29Å; L335-K337 PolarHBondContact O-N 3.39Å; K337-Q341 WeakPolarHBondContact O-CG 3.47Å; K337-Q341 PolarHBondContact O-N 2.68Å; K337-Q341 VanDerWaalsContact O-N 3.15Å |
| 338 | V | 98.4 | Very high | 96.7 | Very high | 70 Ų | 70 | 110.5 Ų | 110.5 | 42% | 0.424 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.9 | -47.5 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | T334 L335 G340 Q341 L342 | T334-V338 WeakPolarHBondContact O-CG2 3.41Å; T334-V338 PolarHBondContact O-N 2.89Å; L335-V338 PolarHBondContact O-N 2.87Å; L335-V338 VanDerWaalsContact O-N 3.15Å; V338-G340 VanDerWaalsContact C-N 3.29Å; V338-G340 PolarHBondContact O-N 3.42Å; V338-Q341 WeakPolarHBondContact O-CA 3.33Å; V338-Q341 WeakPolarHBondContact O-CB 3.31Å; V338-Q341 PolarHBondContact O-N 3.35Å; V338-L342 HydrophobicContact CG1-CD1 4.12Å; V338-L342 WeakPolarHBondContact O-CG 3.16Å; V338-L342 PolarHBondContact O-N 3.15Å; V338-L342 VanDerWaalsContact O-N 3.14Å |
| 339 | V | 98.2 | Very high | 96.6 | Very high | 78 Ų | 78 | 112.9 Ų | 112.9 | 47% | 0.473 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -56.2 | -46.7 | 174 | 171.2 | 0 | 0 | 0 | 0 | 110 | L335 Q341 L342 T343 | L335-V339 WeakPolarHBondContact O-CG2 3.39Å; L335-V339 PolarHBondContact O-N 3.39Å; V339-Q341 PolarHBondContact O-N 3.01Å; V339-Q341 VanDerWaalsContact O-N 3.15Å; V339-L342 PolarHBondContact O-N 3.05Å; V339-T343 HydrophobicContact CG1-CG2 4.18Å; V339-T343 WeakPolarHBondContact O-CG2 3.41Å; V339-T343 PolarHBondContact O-N 2.85Å; V339-T343 PolarHBondContact O-OG1 2.92Å |
| 340 | G | 98.1 | Very high | 96.4 | Very high | 17 Ų | 17 | 114.1 Ų | 114.1 | 18% | 0.175 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -65.9 | -9.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L336 V338 R344 | L336-G340 PolarHBondContact O-N 3.04Å; V338-G340 VanDerWaalsContact C-N 3.29Å; V338-G340 PolarHBondContact O-N 3.42Å; G340-R344 PolarHBondContact O-NE 3.32Å; G340-R344 PolarHBondContact O-NH2 3.06Å |
| 341 | Q | 97.2 | Very high | 96.3 | Very high | 125 Ų | 125 | 114.4 Ų | 114.4 | 58% | 0.584 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -92.9 | -22.7 | 168 | -76 | 177 | -28.1 | 0 | 0 | 112.4 | K337 V338 V339 | K337-Q341 WeakPolarHBondContact O-CG 3.47Å; K337-Q341 PolarHBondContact O-N 2.68Å; K337-Q341 VanDerWaalsContact O-N 3.15Å; V338-Q341 WeakPolarHBondContact O-CA 3.33Å; V338-Q341 WeakPolarHBondContact O-CB 3.31Å; V338-Q341 PolarHBondContact O-N 3.35Å; V339-Q341 PolarHBondContact O-N 3.01Å; V339-Q341 VanDerWaalsContact O-N 3.15Å |
| 342 | L | 97.5 | Very high | 96.1 | Very high | 141 Ų | 141 | 116.3 Ų | 116.3 | 74% | 0.738 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -92.5 | -12 | 179.4 | -63.3 | 172.6 | 0 | 0 | 0 | 113.3 | V338 V339 | V338-L342 HydrophobicContact CG1-CD1 4.12Å; V338-L342 WeakPolarHBondContact O-CG 3.16Å; V338-L342 PolarHBondContact O-N 3.15Å; V338-L342 VanDerWaalsContact O-N 3.14Å; V339-L342 PolarHBondContact O-N 3.05Å |
| 343 | T | 95.6 | Very high | 95.9 | Very high | 105 Ų | 105 | 117.8 Ų | 117.8 | 64% | 0.644 | 59% | 0.589 | S | S | * | * | trans | -111 | 19.2 | -178.9 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | V339 | V339-T343 HydrophobicContact CG1-CG2 4.18Å; V339-T343 WeakPolarHBondContact O-CG2 3.41Å; V339-T343 PolarHBondContact O-N 2.85Å; V339-T343 PolarHBondContact O-OG1 2.92Å | ||
| 344 | R | 72.8 | Confident | 95.6 | Very high | 256 Ų | 256 | 114.3 Ų | 114.3 | 97% | 0.966 | 58% | 0.581 | S | S | * | * | trans | -127.1 | 0 | 174.4 | -82.3 | -174.9 | -73 | -156.6 | -5.4 | 111 | G340 | G340-R344 PolarHBondContact O-NE 3.32Å; G340-R344 PolarHBondContact O-NH2 3.06Å |
Retrieved 344 of 344 residues in 184.8 ms
(Link to these results)