| 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 | 38.5 | Very low | 41.2 | Very low | 248 Ų | 248 | 137.7 Ų | 137.7 | 100% | 1.222 | 73% | 0.726 | S | S | * | * | 0 | 120.4 | 0 | -68.8 | 170.6 | 173.4 | 0 | 0 | 107.7 | |||||
| 2 | T | 36.9 | Very low | 41.6 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | trans | -89.6 | 127.6 | 176.9 | 20.5 | 0 | 0 | 0 | 0 | 110.3 | W4 | T2-W4 PolarHBondContact O-N 3.04Š| ||
| 3 | A | 34.3 | Very low | 42.3 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 88% | 0.884 | 70% | 0.695 | S | S | * | * | trans | -76.2 | 111.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 4 | W | 43.1 | Very low | 43.4 | Very low | 236 Ų | 236 | 132.7 Ų | 132.7 | 89% | 0.894 | 70% | 0.696 | S | S | * | * | trans | -89.7 | 143.4 | 168.6 | -77.4 | 52.9 | 0 | 0 | 0 | 110.1 | T2 | T2-W4 PolarHBondContact O-N 3.04Š| ||
| 5 | G | 35 | Very low | 44.2 | Very low | 66 Ų | 66 | 128.7 Ų | 128.7 | 68% | 0.68 | 67% | 0.668 | S | S | * | * | trans | 76 | 45.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 6 | R | 36.3 | Very low | 45.4 | Very low | 254 Ų | 254 | 133.2 Ų | 133.2 | 96% | 0.958 | 67% | 0.674 | S | S | * | * | trans | -111.2 | 74.6 | 154 | -76.1 | -165.1 | 178.7 | -165.9 | 0.9 | 111.1 | S8 | R6-S8 PolarHBondContact O-N 3.34Š| ||
| 7 | Y | 43.8 | Very low | 46.5 | Very low | 170 Ų | 170 | 129 Ų | 129 | 67% | 0.667 | 66% | 0.664 | S | S | * | * | trans | -66.8 | 118.9 | 163.8 | -66.9 | -68.5 | 0 | 0 | 0 | 108.6 | R15 | Y7-R15 VanDerWaalsContact CD1-NH2 3.28Š| ||
| 8 | S | 42.8 | Very low | 47.2 | Very low | 56 Ų | 56 | 126.7 Ų | 126.7 | 39% | 0.392 | 66% | 0.656 | S | S | . | * | trans | -69.8 | 151.9 | 176.5 | 75.8 | 0 | 0 | 0 | 0 | 110.8 | R6 E10 S11 | R6-S8 PolarHBondContact O-N 3.34Å; S8-E10 WeakPolarHBondContact CB-OE2 3.36Å; S8-E10 PolarHBondContact O-N 3.45Å; S8-E10 VanDerWaalsContact O-N 3.11Å; S8-E10 PolarHBondContact OG-OE2 3.23Å; S8-S11 WeakPolarHBondContact O-CB 3.48Å; S8-S11 PolarHBondContact O-N 2.94Å; S8-S11 PolarHBondContact O-OG 3.13Å | ||
| 9 | A | 44.7 | Very low | 47.9 | Very low | 76 Ų | 76 | 125.8 Ų | 125.8 | 63% | 0.628 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -24.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S11 L12 P13 | A9-S11 PolarHBondContact O-N 3.3Å; A9-L12 WeakPolarHBondContact O-CB 3.49Å; A9-L12 PolarHBondContact O-N 3.19Å; A9-L12 VanDerWaalsContact O-N 3.08Å; A9-P13 VanDerWaalsContact O-CD 3.22Å; A9-P13 WeakPolarHBondContact O-CD 3.47Å |
| 10 | E | 46.3 | Very low | 48.8 | Very low | 146 Ų | 146 | 122.2 Ų | 122.2 | 68% | 0.682 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -18.7 | 176.4 | -50.1 | 153.3 | 125.7 | 0 | 0 | 112.9 | S8 | S8-E10 WeakPolarHBondContact CB-OE2 3.36Å; S8-E10 PolarHBondContact O-N 3.45Å; S8-E10 VanDerWaalsContact O-N 3.11Å; S8-E10 PolarHBondContact OG-OE2 3.23Å |
| 11 | S | 50.9 | Low | 49.6 | Very low | 29 Ų | 29 | 121.7 Ų | 121.7 | 20% | 0.203 | 64% | 0.636 | C | S | . | * | H | α-helix | trans | -78.6 | -23.8 | 174.1 | 70.4 | 0 | 0 | 0 | 0 | 113.2 | S8 A9 K14 R15 | S8-S11 WeakPolarHBondContact O-CB 3.48Å; S8-S11 PolarHBondContact O-N 2.94Å; S8-S11 PolarHBondContact O-OG 3.13Å; A9-S11 PolarHBondContact O-N 3.3Å; S11-K14 PolarHBondContact O-N 3.13Å; S11-R15 WeakPolarHBondContact O-CG 3.38Å; S11-R15 PolarHBondContact O-N 3.42Å |
| 12 | L | 46.8 | Very low | 50.4 | Low | 96 Ų | 96 | 112.3 Ų | 112.3 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.7 | -42.1 | -176.8 | -63.9 | 170.3 | 0 | 0 | 0 | 113.6 | A9 K14 R15 R16 | A9-L12 WeakPolarHBondContact O-CB 3.49Å; A9-L12 PolarHBondContact O-N 3.19Å; A9-L12 VanDerWaalsContact O-N 3.08Å; L12-K14 VanDerWaalsContact C-N 3.31Å; L12-K14 PolarHBondContact O-N 2.93Å; L12-R15 PolarHBondContact O-N 3.46Å; L12-R16 WeakPolarHBondContact O-CG 3.46Å; L12-R16 PolarHBondContact O-N 3.37Å |
| 13 | P | 50 | Low | 51.9 | Low | 84 Ų | 84 | 110.5 Ų | 110.5 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59 | -40.4 | 172.3 | -25.6 | 34.9 | 0 | 0 | 0 | 112.7 | A9 R16 A17 | A9-P13 VanDerWaalsContact O-CD 3.22Å; A9-P13 WeakPolarHBondContact O-CD 3.47Å; P13-R16 PolarHBondContact O-N 3.34Å; P13-A17 WeakPolarHBondContact O-CB 3.07Å; P13-A17 PolarHBondContact O-N 3.17Å |
| 14 | K | 58 | Low | 53.7 | Low | 163 Ų | 163 | 110.5 Ų | 110.5 | 71% | 0.709 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.2 | -44.1 | 178.9 | -63.6 | -176.7 | 179.7 | -179.7 | 0 | 111.3 | S11 L12 A17 V18 | S11-K14 PolarHBondContact O-N 3.13Å; L12-K14 VanDerWaalsContact C-N 3.31Å; L12-K14 PolarHBondContact O-N 2.93Å; K14-A17 PolarHBondContact O-N 3.24Å; K14-V18 WeakPolarHBondContact O-CG2 3.19Å; K14-V18 PolarHBondContact O-N 3.37Å |
| 15 | R | 54.7 | Low | 54.6 | Low | 72 Ų | 72 | 101.3 Ų | 101.3 | 27% | 0.272 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 173.1 | -67.9 | -179.4 | -170.7 | -153.2 | 13.9 | 112 | Y7 S11 L12 A17 V18 H19 D70 | Y7-R15 VanDerWaalsContact CD1-NH2 3.28Å; S11-R15 WeakPolarHBondContact O-CG 3.38Å; S11-R15 PolarHBondContact O-N 3.42Å; L12-R15 PolarHBondContact O-N 3.46Å; R15-A17 PolarHBondContact O-N 2.98Å; R15-V18 PolarHBondContact O-N 3.46Å; R15-H19 WeakPolarHBondContact O-CB 3.39Å; R15-H19 PolarHBondContact O-N 2.99Å; R15-D70 WeakPolarHBondContact CD-OD1 3.22Å; R15-D70 IonicContact CZ-OD1 2.77Å; R15-D70 IonicContact NE-OD1 3.16Å; R15-D70 IonicContact NH1-OD1 2.75Å; R15-D70 PolarHBondContact NH1-OD1 3.47Å |
| 16 | R | 64.5 | Low | 56 | Low | 201 Ų | 201 | 101.1 Ų | 101.1 | 76% | 0.758 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 176.7 | -74.4 | -178 | 178.4 | -175.8 | 0.2 | 112.5 | L12 P13 A20 | L12-R16 WeakPolarHBondContact O-CG 3.46Å; L12-R16 PolarHBondContact O-N 3.37Å; P13-R16 PolarHBondContact O-N 3.34Å; R16-A20 VanDerWaalsContact O-CB 3.3Å; R16-A20 WeakPolarHBondContact O-CB 3.43Å; R16-A20 PolarHBondContact O-N 2.87Å |
| 17 | A | 64.1 | Low | 57.5 | Low | 62 Ų | 62 | 98.5 Ų | 98.5 | 51% | 0.512 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P13 K14 R15 A20 L21 | P13-A17 WeakPolarHBondContact O-CB 3.07Å; P13-A17 PolarHBondContact O-N 3.17Å; K14-A17 PolarHBondContact O-N 3.24Å; R15-A17 PolarHBondContact O-N 2.98Å; A17-A20 PolarHBondContact O-N 3.16Å; A17-L21 WeakPolarHBondContact O-CB 3.49Å; A17-L21 PolarHBondContact O-N 2.79Å |
| 18 | V | 59.1 | Low | 58.8 | Low | 87 Ų | 87 | 95.6 Ų | 95.6 | 53% | 0.527 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 175.6 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | K14 R15 A20 L21 M22 | K14-V18 WeakPolarHBondContact O-CG2 3.19Å; K14-V18 PolarHBondContact O-N 3.37Å; R15-V18 PolarHBondContact O-N 3.46Å; V18-A20 PolarHBondContact O-N 3.28Å; V18-L21 PolarHBondContact O-N 2.9Å; V18-M22 HydrophobicContact CG1-SD 3.99Å; V18-M22 WeakPolarHBondContact O-CB 3.49Å; V18-M22 WeakPolarHBondContact O-CG 3.46Å; V18-M22 PolarHBondContact O-N 3Å |
| 19 | H | 61 | Low | 59.8 | Low | 110 Ų | 110 | 96.2 Ų | 96.2 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 177.7 | 175.8 | -99.5 | 0 | 0 | 0 | 112.6 | R15 M22 Q23 | R15-H19 WeakPolarHBondContact O-CB 3.39Å; R15-H19 PolarHBondContact O-N 2.99Å; H19-M22 PolarHBondContact O-N 2.92Å; H19-Q23 PolarHBondContact CE1-NE2 2.85Å; H19-Q23 PolarHBondContact NE2-NE2 3.23Å; H19-Q23 WeakPolarHBondContact O-CG 3.41Å; H19-Q23 PolarHBondContact O-N 2.81Å |
| 20 | A | 66.1 | Low | 60.4 | Low | 54 Ų | 54 | 96.6 Ų | 96.6 | 45% | 0.446 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | R16 A17 V18 Q23 Q24 | R16-A20 VanDerWaalsContact O-CB 3.3Å; R16-A20 WeakPolarHBondContact O-CB 3.43Å; R16-A20 PolarHBondContact O-N 2.87Å; A17-A20 PolarHBondContact O-N 3.16Å; V18-A20 PolarHBondContact O-N 3.28Å; A20-Q23 PolarHBondContact O-N 2.91Å; A20-Q24 WeakPolarHBondContact O-CB 3.18Å; A20-Q24 PolarHBondContact O-N 3.27Å |
| 21 | L | 64.9 | Low | 61 | Low | 111 Ų | 111 | 92.7 Ų | 92.7 | 58% | 0.581 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.6 | -40.3 | 176.1 | -173.2 | 149.2 | 0 | 0 | 0 | 111.4 | A17 V18 Q24 S25 | A17-L21 WeakPolarHBondContact O-CB 3.49Å; A17-L21 PolarHBondContact O-N 2.79Å; V18-L21 PolarHBondContact O-N 2.9Å; L21-Q24 WeakPolarHBondContact O-CB 3.42Å; L21-Q24 PolarHBondContact O-N 3.06Å; L21-S25 PolarHBondContact O-N 2.84Å; L21-S25 PolarHBondContact O-OG 2.87Å |
| 22 | M | 56 | Low | 61.2 | Low | 52 Ų | 52 | 96.2 Ų | 96.2 | 26% | 0.256 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 171.6 | -75.7 | 174.8 | 144.2 | 0 | 0 | 112.2 | V18 H19 Q24 S25 I26 F59 M63 | V18-M22 HydrophobicContact CG1-SD 3.99Å; V18-M22 WeakPolarHBondContact O-CB 3.49Å; V18-M22 WeakPolarHBondContact O-CG 3.46Å; V18-M22 PolarHBondContact O-N 3Å; H19-M22 PolarHBondContact O-N 2.92Å; M22-Q24 PolarHBondContact O-N 2.73Å; M22-S25 PolarHBondContact O-N 2.81Å; M22-I26 WeakPolarHBondContact O-CA 3.36Å; M22-I26 WeakPolarHBondContact O-CG1 3.42Å; M22-I26 PolarHBondContact O-N 3.03Å; M22-F59 HydrophobicContact CE-CE1 4.41Å; M22-F59 HydrophobicContact CE-CE2 3.88Å; M22-F59 HydrophobicContact CE-CZ 3.59Å; M22-M63 HydrophobicContact CE-CG 3.57Å; M22-M63 HydrophobicContact CE-SD 4.06Å; M22-M63 HydrophobicContact SD-CG 4.2Å; M22-M63 HydrophobicContact SD-SD 4.19Å |
| 23 | Q | 68.4 | Low | 61.5 | Low | 88 Ų | 88 | 94 Ų | 94 | 41% | 0.411 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -27.9 | 174.5 | -74.6 | -163 | -4.2 | 0 | 0 | 113.2 | H19 A20 R27 | H19-Q23 PolarHBondContact CE1-NE2 2.85Å; H19-Q23 PolarHBondContact NE2-NE2 3.23Å; H19-Q23 WeakPolarHBondContact O-CG 3.41Å; H19-Q23 PolarHBondContact O-N 2.81Å; A20-Q23 PolarHBondContact O-N 2.91Å; Q23-R27 WeakPolarHBondContact O-CG 3.38Å; Q23-R27 PolarHBondContact O-N 2.85Å |
| 24 | Q | 71.5 | Confident | 61.7 | Low | 108 Ų | 108 | 92.2 Ų | 92.2 | 51% | 0.505 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -71.1 | -54.3 | 173.6 | 177.5 | 169.2 | -8.9 | 0 | 0 | 111 | A20 L21 M22 I26 R27 E28 | A20-Q24 WeakPolarHBondContact O-CB 3.18Å; A20-Q24 PolarHBondContact O-N 3.27Å; L21-Q24 WeakPolarHBondContact O-CB 3.42Å; L21-Q24 PolarHBondContact O-N 3.06Å; M22-Q24 PolarHBondContact O-N 2.73Å; Q24-I26 VanDerWaalsContact C-N 3.31Å; Q24-I26 PolarHBondContact O-N 2.7Å; Q24-R27 PolarHBondContact O-N 3.11Å; Q24-E28 VanDerWaalsContact CG-CD 3.46Å; Q24-E28 HydrophobicContact CG-CG 4.22Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.16Å; Q24-E28 PolarHBondContact NE2-OE1 2.68Å; Q24-E28 WeakPolarHBondContact O-CG 3.38Å; Q24-E28 PolarHBondContact O-N 3.09Å |
| 25 | S | 62.6 | Low | 61.3 | Low | 42 Ų | 42 | 91.4 Ų | 91.4 | 29% | 0.294 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 176.8 | -54.4 | 0 | 0 | 0 | 0 | 112.7 | L21 M22 E28 N29 | L21-S25 PolarHBondContact O-N 2.84Å; L21-S25 PolarHBondContact O-OG 2.87Å; M22-S25 PolarHBondContact O-N 2.81Å; S25-E28 PolarHBondContact O-N 2.86Å; S25-N29 PolarHBondContact O-N 2.99Å |
| 26 | I | 63 | Low | 61.3 | Low | 62 Ų | 62 | 96.5 Ų | 96.5 | 32% | 0.318 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -11.7 | -84.5 | 142.1 | 3.2 | 145.7 | 0 | 0 | 0 | 115.1 | M22 Q24 F33 M63 | M22-I26 WeakPolarHBondContact O-CA 3.36Å; M22-I26 WeakPolarHBondContact O-CG1 3.42Å; M22-I26 PolarHBondContact O-N 3.03Å; Q24-I26 VanDerWaalsContact C-N 3.31Å; Q24-I26 PolarHBondContact O-N 2.7Å; I26-F33 HydrophobicContact CB-CD2 4.08Å; I26-F33 HydrophobicContact CB-CE2 4.27Å; I26-F33 HydrophobicContact CG1-CD1 4.25Å; I26-F33 HydrophobicContact CG1-CD2 3.69Å; I26-F33 HydrophobicContact CG1-CE1 4.22Å; I26-F33 HydrophobicContact CG1-CE2 3.64Å; I26-F33 HydrophobicContact CG1-CG 3.99Å; I26-F33 HydrophobicContact CG1-CZ 3.92Å; I26-F33 HydrophobicContact CG2-CB 4.16Å; I26-F33 HydrophobicContact CG2-CD2 3.68Å; I26-F33 HydrophobicContact CG2-CE2 4.37Å; I26-F33 HydrophobicContact CG2-CG 4.03Å; I26-M63 HydrophobicContact CD1-CE 4.27Å; I26-M63 HydrophobicContact CD1-SD 4.35Å |
| 27 | R | 68 | Low | 60.5 | Low | 200 Ų | 200 | 88.8 Ų | 88.8 | 76% | 0.755 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -72 | -31 | -173 | -65.8 | 165.7 | -174.7 | -170.6 | 3 | 113.7 | Q23 Q24 | Q23-R27 WeakPolarHBondContact O-CG 3.38Å; Q23-R27 PolarHBondContact O-N 2.85Å; Q24-R27 PolarHBondContact O-N 3.11Å |
| 28 | E | 71.1 | Confident | 59.8 | Low | 109 Ų | 109 | 90.1 Ų | 90.1 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72.4 | -35.2 | 179.7 | -69.4 | 168.5 | 164.5 | 0 | 0 | 112 | Q24 S25 | Q24-E28 VanDerWaalsContact CG-CD 3.46Å; Q24-E28 HydrophobicContact CG-CG 4.22Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.16Å; Q24-E28 PolarHBondContact NE2-OE1 2.68Å; Q24-E28 WeakPolarHBondContact O-CG 3.38Å; Q24-E28 PolarHBondContact O-N 3.09Å; S25-E28 PolarHBondContact O-N 2.86Å |
| 29 | N | 63.6 | Low | 59.6 | Low | 69 Ų | 69 | 87.3 Ų | 87.3 | 37% | 0.369 | 46% | 0.457 | S | S | . | . | trans | -135.5 | 57.4 | -172.5 | -65.5 | -89.2 | 0 | 0 | 0 | 113 | S25 S31 L32 F33 | S25-N29 PolarHBondContact O-N 2.99Å; N29-S31 PolarHBondContact O-N 2.96Å; N29-S31 VanDerWaalsContact O-N 3.08Å; N29-L32 HydrophobicContact CB-CB 4.38Å; N29-L32 HydrophobicContact CB-CD1 3.64Å; N29-L32 HydrophobicContact CB-CG 3.93Å; N29-L32 PolarHBondContact O-N 2.77Å; N29-F33 WeakPolarHBondContact O-CD2 3.37Å | ||
| 30 | P | 58.8 | Low | 59.2 | Low | 84 Ų | 84 | 82.6 Ų | 82.6 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -60.7 | -24 | -177.2 | 25.5 | -35.5 | 0 | 0 | 0 | 113.5 | F33 S34 | P30-F33 PolarHBondContact O-N 2.91Å; P30-S34 PolarHBondContact O-N 3.32Å; P30-S34 VanDerWaalsContact O-N 3.16Å |
| 31 | S | 58.7 | Low | 58.7 | Low | 64 Ų | 64 | 83.4 Ų | 83.4 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -60.7 | -42.4 | 173.3 | 47.9 | 0 | 0 | 0 | 0 | 112.9 | N29 F33 S34 S37 | N29-S31 PolarHBondContact O-N 2.96Å; N29-S31 VanDerWaalsContact O-N 3.08Å; S31-F33 PolarHBondContact O-N 3.48Å; S31-F33 VanDerWaalsContact O-N 3.07Å; S31-S34 PolarHBondContact O-N 3.37Å; S31-S37 WeakPolarHBondContact O-CB 3.12Å; S31-S37 PolarHBondContact O-OG 2.9Å |
| 32 | L | 53.9 | Low | 58.7 | Low | 103 Ų | 103 | 83.7 Ų | 83.7 | 54% | 0.539 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -61.8 | -18.9 | 178 | -63.7 | 180 | 0 | 0 | 0 | 113 | N29 | N29-L32 HydrophobicContact CB-CB 4.38Å; N29-L32 HydrophobicContact CB-CD1 3.64Å; N29-L32 HydrophobicContact CB-CG 3.93Å; N29-L32 PolarHBondContact O-N 2.77Å |
| 33 | F | 54.4 | Low | 59.9 | Low | 49 Ų | 49 | 87.5 Ų | 87.5 | 22% | 0.215 | 47% | 0.474 | C | S | . | . | G | 310 helix | trans | -111.5 | -0.4 | -177.5 | -59.1 | -74.5 | 0 | 0 | 0 | 113.9 | I26 N29 P30 S31 F59 R60 | I26-F33 HydrophobicContact CB-CD2 4.08Å; I26-F33 HydrophobicContact CB-CE2 4.27Å; I26-F33 HydrophobicContact CG1-CD1 4.25Å; I26-F33 HydrophobicContact CG1-CD2 3.69Å; I26-F33 HydrophobicContact CG1-CE1 4.22Å; I26-F33 HydrophobicContact CG1-CE2 3.64Å; I26-F33 HydrophobicContact CG1-CG 3.99Å; I26-F33 HydrophobicContact CG1-CZ 3.92Å; I26-F33 HydrophobicContact CG2-CB 4.16Å; I26-F33 HydrophobicContact CG2-CD2 3.68Å; I26-F33 HydrophobicContact CG2-CE2 4.37Å; I26-F33 HydrophobicContact CG2-CG 4.03Å; N29-F33 WeakPolarHBondContact O-CD2 3.37Å; P30-F33 PolarHBondContact O-N 2.91Å; S31-F33 PolarHBondContact O-N 3.48Å; S31-F33 VanDerWaalsContact O-N 3.07Å; F33-F59 AromaticContact CE1-CD1 3.94Å; F33-F59 HydrophobicContact CE1-CD1 3.94Å; F33-F59 AromaticContact CE1-CE1 3.62Å; F33-F59 HydrophobicContact CE1-CE1 3.62Å; F33-F59 HydrophobicContact CZ-CE1 4.18Å; F33-R60 PolarHBondContact O-NH2 3.34Å |
| 34 | S | 53.3 | Low | 60.3 | Low | 46 Ų | 46 | 83.4 Ų | 83.4 | 32% | 0.322 | 46% | 0.456 | S | S | . | . | trans | -69.7 | 146 | 172.3 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | P30 S31 E36 R60 | P30-S34 PolarHBondContact O-N 3.32Å; P30-S34 VanDerWaalsContact O-N 3.16Å; S31-S34 PolarHBondContact O-N 3.37Å; S34-E36 PolarHBondContact OG-N 3.45Å; S34-R60 PolarHBondContact O-NH2 3.39Å | ||
| 35 | M | 49.2 | Very low | 60.9 | Low | 147 Ų | 147 | 81.3 Ų | 81.3 | 72% | 0.724 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -71 | -20.5 | 168.8 | -71.8 | -83.3 | -74.9 | 0 | 0 | 112.6 | R60 | M35-R60 PolarHBondContact SD-NH1 2.76Š|
| 36 | E | 54.7 | Low | 61.6 | Low | 178 Ų | 178 | 87.1 Ų | 87.1 | 83% | 0.832 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -106.3 | -9 | -171.3 | -58.4 | 176.8 | 154.1 | 0 | 0 | 112.7 | S34 | S34-E36 PolarHBondContact OG-N 3.45Š|
| 37 | S | 47.4 | Very low | 62.4 | Low | 40 Ų | 40 | 89.5 Ų | 89.5 | 28% | 0.28 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -69.8 | 125.9 | 174.4 | -172.9 | 0 | 0 | 0 | 0 | 109.1 | S31 V39 | S31-S37 WeakPolarHBondContact O-CB 3.12Å; S31-S37 PolarHBondContact O-OG 2.9Å; S37-V39 PolarHBondContact O-N 2.88Å; S37-V39 VanDerWaalsContact O-N 3.07Å |
| 38 | P | 49.4 | Very low | 62.7 | Low | 89 Ų | 89 | 83.7 Ų | 83.7 | 58% | 0.578 | 47% | 0.47 | S | S | * | . | trans | -60.3 | 118.4 | 167.3 | 26.5 | -32.4 | 0 | 0 | 0 | 107.2 | G40 | P38-G40 CarbonylContact C-O 3.38Å; P38-G40 PolarHBondContact O-N 3.22Å | ||
| 39 | V | 55 | Low | 62.9 | Low | 28 Ų | 28 | 83.4 Ų | 83.4 | 17% | 0.17 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -77.3 | 83.7 | -174 | -160.9 | 0 | 0 | 0 | 0 | 108.7 | S37 R49 Q52 N53 | S37-V39 PolarHBondContact O-N 2.88Å; S37-V39 VanDerWaalsContact O-N 3.07Å; V39-R49 WeakPolarHBondContact O-CA 3.5Å; V39-Q52 HydrophobicContact CB-CB 4.4Å; V39-Q52 HydrophobicContact CG1-CB 3.63Å; V39-Q52 PolarHBondContact O-OE1 3.22Å; V39-N53 VanDerWaalsContact CG2-OD1 3.31Å; V39-N53 WeakPolarHBondContact CG2-OD1 3.48Å |
| 40 | G | 53.5 | Low | 63.4 | Low | 11 Ų | 11 | 86.8 Ų | 86.8 | 11% | 0.113 | 48% | 0.475 | C | S | . | . | S | Bend | trans | 127.6 | 144.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P38 | P38-G40 CarbonylContact C-O 3.38Å; P38-G40 PolarHBondContact O-N 3.22Å |
| 41 | P | 55.6 | Low | 64.1 | Low | 72 Ų | 72 | 90.7 Ų | 90.7 | 47% | 0.468 | 48% | 0.479 | S | S | . | . | trans | -56.2 | 159.2 | 175.1 | 25.4 | -35.2 | 0 | 0 | 0 | 111.1 | T43 A44 | P41-T43 PolarHBondContact O-N 3.15Å; P41-A44 HydrophobicContact CG-CB 4.12Å; P41-A44 WeakPolarHBondContact O-CB 3.36Å; P41-A44 PolarHBondContact O-N 3.2Å | ||
| 42 | P | 64.6 | Low | 64.7 | Low | 117 Ų | 117 | 90.5 Ų | 90.5 | 76% | 0.76 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20.5 | -178.1 | 24 | -34.4 | 0 | 0 | 0 | 113.8 | ||
| 43 | T | 80.7 | Confident | 65.5 | Low | 131 Ų | 131 | 89.1 Ų | 89.1 | 80% | 0.804 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -13.2 | 173.6 | 49.1 | 0 | 0 | 0 | 0 | 114.7 | P41 | P41-T43 PolarHBondContact O-N 3.15Š|
| 44 | A | 76.5 | Confident | 66.4 | Low | 3 Ų | 3 | 92 Ų | 92 | 3% | 0.025 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -64.4 | 143.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P41 E48 R49 | P41-A44 HydrophobicContact CG-CB 4.12Å; P41-A44 WeakPolarHBondContact O-CB 3.36Å; P41-A44 PolarHBondContact O-N 3.2Å; A44-E48 WeakPolarHBondContact CA-OE2 3.35Å; A44-E48 HydrophobicContact CB-CG 4.19Å; A44-E48 WeakPolarHBondContact CB-OE2 3.04Å; A44-R49 HydrophobicContact CB-CG 3.85Å; A44-R49 VanDerWaalsContact O-CZ 3.27Å; A44-R49 PolarHBondContact O-NE 3.47Å; A44-R49 PolarHBondContact O-NH2 3.38Å |
| 45 | S | 84.7 | Confident | 67.3 | Low | 64 Ų | 64 | 95.6 Ų | 95.6 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | trans | -65.3 | 157.6 | 177.6 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | L47 E48 R49 | S45-L47 VanDerWaalsContact C-N 3.28Å; S45-L47 PolarHBondContact O-N 3.2Å; S45-E48 PolarHBondContact N-OE2 2.81Å; S45-E48 WeakPolarHBondContact O-CB 3.37Å; S45-E48 PolarHBondContact O-N 3.08Å; S45-E48 WeakPolarHBondContact OG-CB 3.3Å; S45-E48 PolarHBondContact OG-N 3.05Å; S45-E48 VanDerWaalsContact OG-N 3.15Å; S45-R49 PolarHBondContact O-N 3.07Å | ||
| 46 | E | 78.4 | Confident | 68.4 | Low | 163 Ų | 163 | 89.6 Ų | 89.6 | 76% | 0.762 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.2 | -39 | 177.3 | -168.2 | -170.2 | 152.2 | 0 | 0 | 111.6 | E48 R49 K50 | E46-E48 VanDerWaalsContact C-N 3.34Å; E46-E48 PolarHBondContact O-N 3.31Å; E46-R49 PolarHBondContact O-N 3.16Å; E46-K50 VanDerWaalsContact O-CB 3.27Å; E46-K50 WeakPolarHBondContact O-CB 3.48Å; E46-K50 PolarHBondContact O-N 3.06Å |
| 47 | L | 79.4 | Confident | 69.1 | Low | 113 Ų | 113 | 84.4 Ų | 84.4 | 59% | 0.592 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 175.5 | 179 | 62.1 | 0 | 0 | 0 | 112.3 | S45 R51 | S45-L47 VanDerWaalsContact C-N 3.28Å; S45-L47 PolarHBondContact O-N 3.2Å; L47-R51 WeakPolarHBondContact O-CG 3.44Å; L47-R51 PolarHBondContact O-N 2.84Å |
| 48 | E | 73.5 | Confident | 70 | Confident | 78 Ų | 78 | 86.5 Ų | 86.5 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.9 | -49.9 | 176.3 | 177.1 | 178.9 | -164.8 | 0 | 0 | 111.3 | A44 S45 E46 K50 R51 Q52 | A44-E48 WeakPolarHBondContact CA-OE2 3.35Å; A44-E48 HydrophobicContact CB-CG 4.19Å; A44-E48 WeakPolarHBondContact CB-OE2 3.04Å; S45-E48 PolarHBondContact N-OE2 2.81Å; S45-E48 WeakPolarHBondContact O-CB 3.37Å; S45-E48 PolarHBondContact O-N 3.08Å; S45-E48 WeakPolarHBondContact OG-CB 3.3Å; S45-E48 PolarHBondContact OG-N 3.05Å; S45-E48 VanDerWaalsContact OG-N 3.15Å; E46-E48 VanDerWaalsContact C-N 3.34Å; E46-E48 PolarHBondContact O-N 3.31Å; E48-K50 PolarHBondContact O-N 3.19Å; E48-R51 PolarHBondContact O-N 2.86Å; E48-R51 VanDerWaalsContact O-N 3.08Å; E48-Q52 HydrophobicContact CG-CG 4.44Å; E48-Q52 WeakPolarHBondContact O-CG 3.41Å; E48-Q52 PolarHBondContact O-N 2.9Å; E48-Q52 PolarHBondContact OE1-NE2 3.07Å |
| 49 | R | 74.6 | Confident | 70.8 | Confident | 103 Ų | 103 | 86 Ų | 86 | 39% | 0.389 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.3 | -38.5 | 174.2 | -75.3 | -176.8 | -97.6 | 168.4 | -12.6 | 111.7 | V39 A44 S45 E46 N53 | V39-R49 WeakPolarHBondContact O-CA 3.5Å; A44-R49 HydrophobicContact CB-CG 3.85Å; A44-R49 VanDerWaalsContact O-CZ 3.27Å; A44-R49 PolarHBondContact O-NE 3.47Å; A44-R49 PolarHBondContact O-NH2 3.38Å; S45-R49 PolarHBondContact O-N 3.07Å; E46-R49 PolarHBondContact O-N 3.16Å; R49-N53 WeakPolarHBondContact O-CB 3.38Å; R49-N53 PolarHBondContact O-N 2.9Å; R49-N53 PolarHBondContact O-ND2 2.92Å |
| 50 | K | 75.5 | Confident | 71.4 | Confident | 140 Ų | 140 | 88.3 Ų | 88.3 | 61% | 0.609 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.5 | -47 | 174.3 | -175.5 | 175.1 | 179.9 | 177.1 | 0 | 112.3 | E46 E48 N53 E54 | E46-K50 VanDerWaalsContact O-CB 3.27Å; E46-K50 WeakPolarHBondContact O-CB 3.48Å; E46-K50 PolarHBondContact O-N 3.06Å; E48-K50 PolarHBondContact O-N 3.19Å; K50-N53 PolarHBondContact O-N 3.28Å; K50-E54 WeakPolarHBondContact O-CB 3.44Å; K50-E54 PolarHBondContact O-N 3.41Å |
| 51 | R | 72.7 | Confident | 71.9 | Confident | 165 Ų | 165 | 91.6 Ų | 91.6 | 62% | 0.623 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.4 | -42.9 | 176.4 | -79.5 | -179.4 | 170.8 | -168.5 | -1.8 | 112.5 | L47 E48 E54 L55 | L47-R51 WeakPolarHBondContact O-CG 3.44Å; L47-R51 PolarHBondContact O-N 2.84Å; E48-R51 PolarHBondContact O-N 2.86Å; E48-R51 VanDerWaalsContact O-N 3.08Å; R51-E54 PolarHBondContact O-N 3.13Å; R51-L55 WeakPolarHBondContact O-CG 3.34Å; R51-L55 PolarHBondContact O-N 2.85Å |
| 52 | Q | 70.9 | Confident | 72.4 | Confident | 60 Ų | 60 | 95 Ų | 95 | 28% | 0.28 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.7 | -37.5 | 179.5 | -61.1 | -178.9 | 14.6 | 0 | 0 | 111.4 | V39 E48 L55 C56 | V39-Q52 HydrophobicContact CB-CB 4.4Å; V39-Q52 HydrophobicContact CG1-CB 3.63Å; V39-Q52 PolarHBondContact O-OE1 3.22Å; E48-Q52 HydrophobicContact CG-CG 4.44Å; E48-Q52 WeakPolarHBondContact O-CG 3.41Å; E48-Q52 PolarHBondContact O-N 2.9Å; E48-Q52 PolarHBondContact OE1-NE2 3.07Å; Q52-L55 PolarHBondContact O-N 3.36Å; Q52-C56 WeakPolarHBondContact O-CB 3.33Å; Q52-C56 PolarHBondContact O-N 3.21Å |
| 53 | N | 71.9 | Confident | 72.3 | Confident | 75 Ų | 75 | 91.4 Ų | 91.4 | 40% | 0.401 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 169.1 | -89 | -74.5 | 0 | 0 | 0 | 112.1 | V39 R49 K50 L55 C56 C57 | V39-N53 VanDerWaalsContact CG2-OD1 3.31Å; V39-N53 WeakPolarHBondContact CG2-OD1 3.48Å; R49-N53 WeakPolarHBondContact O-CB 3.38Å; R49-N53 PolarHBondContact O-N 2.9Å; R49-N53 PolarHBondContact O-ND2 2.92Å; K50-N53 PolarHBondContact O-N 3.28Å; N53-L55 PolarHBondContact O-N 3.08Å; N53-C56 PolarHBondContact O-N 3.26Å; N53-C57 WeakPolarHBondContact O-CB 3.27Å; N53-C57 PolarHBondContact O-N 3.24Å; N53-C57 PolarHBondContact O-SG 3.46Å |
| 54 | E | 72.4 | Confident | 71.2 | Confident | 110 Ų | 110 | 90.1 Ų | 90.1 | 51% | 0.514 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 177.5 | -175.3 | 169.8 | -167.8 | 0 | 0 | 111.7 | K50 R51 C57 N58 | K50-E54 WeakPolarHBondContact O-CB 3.44Å; K50-E54 PolarHBondContact O-N 3.41Å; R51-E54 PolarHBondContact O-N 3.13Å; E54-C57 PolarHBondContact O-N 2.84Å; E54-N58 WeakPolarHBondContact O-CB 3.31Å; E54-N58 PolarHBondContact O-N 3.38Å; E54-N58 PolarHBondContact O-ND2 2.92Å |
| 55 | L | 72.6 | Confident | 70.4 | Confident | 121 Ų | 121 | 92.9 Ų | 92.9 | 63% | 0.634 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.8 | -44.2 | 172.7 | -72.4 | 168.2 | 0 | 0 | 0 | 112.5 | R51 Q52 N53 N58 F59 | R51-L55 WeakPolarHBondContact O-CG 3.34Å; R51-L55 PolarHBondContact O-N 2.85Å; Q52-L55 PolarHBondContact O-N 3.36Å; N53-L55 PolarHBondContact O-N 3.08Å; L55-N58 PolarHBondContact O-N 2.97Å; L55-F59 VanDerWaalsContact O-CB 3.25Å; L55-F59 WeakPolarHBondContact O-CB 3.31Å; L55-F59 PolarHBondContact O-N 3.42Å |
| 56 | C | 72.8 | Confident | 69.4 | Low | 20 Ų | 20 | 92.4 Ų | 92.4 | 14% | 0.135 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 178 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | Q52 N53 R60 | Q52-C56 WeakPolarHBondContact O-CB 3.33Å; Q52-C56 PolarHBondContact O-N 3.21Å; N53-C56 PolarHBondContact O-N 3.26Å; C56-R60 WeakPolarHBondContact O-CB 3.39Å; C56-R60 VanDerWaalsContact O-CG 3.31Å; C56-R60 WeakPolarHBondContact O-CG 3.3Å; C56-R60 PolarHBondContact O-N 2.95Å |
| 57 | C | 68.1 | Low | 68.2 | Low | 70 Ų | 70 | 88.3 Ų | 88.3 | 47% | 0.473 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 175.1 | -74.7 | 0 | 0 | 0 | 0 | 112.3 | N53 E54 T61 | N53-C57 WeakPolarHBondContact O-CB 3.27Å; N53-C57 PolarHBondContact O-N 3.24Å; N53-C57 PolarHBondContact O-SG 3.46Å; E54-C57 PolarHBondContact O-N 2.84Å; C57-T61 WeakPolarHBondContact O-CB 3.35Å; C57-T61 PolarHBondContact O-N 3.37Å; C57-T61 PolarHBondContact O-OG1 3.43Å |
| 58 | N | 67.9 | Low | 66.9 | Low | 84 Ų | 84 | 87.4 Ų | 87.4 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.8 | -47.4 | 176.7 | -71.3 | -21.5 | 0 | 0 | 0 | 111.2 | E54 L55 R60 T61 E62 | E54-N58 WeakPolarHBondContact O-CB 3.31Å; E54-N58 PolarHBondContact O-N 3.38Å; E54-N58 PolarHBondContact O-ND2 2.92Å; L55-N58 PolarHBondContact O-N 2.97Å; N58-R60 PolarHBondContact O-N 2.87Å; N58-T61 CarbonylContact O-C 3.56Å; N58-T61 WeakPolarHBondContact O-CA 3.44Å; N58-T61 WeakPolarHBondContact O-CB 3.45Å; N58-T61 PolarHBondContact O-N 3.09Å; N58-T61 VanDerWaalsContact O-N 3.09Å; N58-E62 PolarHBondContact O-N 3.21Å |
| 59 | F | 66.2 | Low | 66 | Low | 79 Ų | 79 | 91.9 Ų | 91.9 | 35% | 0.346 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 178.1 | -176 | -93.2 | 0 | 0 | 0 | 112.7 | M22 F33 L55 T61 E62 M63 | M22-F59 HydrophobicContact CE-CE1 4.41Å; M22-F59 HydrophobicContact CE-CE2 3.88Å; M22-F59 HydrophobicContact CE-CZ 3.59Å; F33-F59 AromaticContact CE1-CD1 3.94Å; F33-F59 HydrophobicContact CE1-CD1 3.94Å; F33-F59 AromaticContact CE1-CE1 3.62Å; F33-F59 HydrophobicContact CE1-CE1 3.62Å; F33-F59 HydrophobicContact CZ-CE1 4.18Å; L55-F59 VanDerWaalsContact O-CB 3.25Å; L55-F59 WeakPolarHBondContact O-CB 3.31Å; L55-F59 PolarHBondContact O-N 3.42Å; F59-T61 VanDerWaalsContact C-N 3.31Å; F59-T61 PolarHBondContact O-N 2.97Å; F59-E62 PolarHBondContact O-N 2.8Å; F59-M63 HydrophobicContact CD1-CE 3.99Å; F59-M63 HydrophobicContact CD1-CG 4.27Å; F59-M63 HydrophobicContact CD1-SD 4.36Å; F59-M63 HydrophobicContact CE1-CE 3.71Å; F59-M63 HydrophobicContact CE1-CG 3.91Å; F59-M63 HydrophobicContact CE1-SD 3.64Å; F59-M63 HydrophobicContact CZ-CG 4.3Å; F59-M63 HydrophobicContact CZ-SD 4.22Å; F59-M63 WeakPolarHBondContact O-CB 3.25Å; F59-M63 PolarHBondContact O-N 3.46Å |
| 60 | R | 67.1 | Low | 65 | Low | 76 Ų | 76 | 90.5 Ų | 90.5 | 29% | 0.287 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 172.5 | -76.7 | 173.4 | 169.6 | -177.5 | -0 | 111.9 | F33 S34 M35 C56 N58 L64 | F33-R60 PolarHBondContact O-NH2 3.34Å; S34-R60 PolarHBondContact O-NH2 3.39Å; M35-R60 PolarHBondContact SD-NH1 2.76Å; C56-R60 WeakPolarHBondContact O-CB 3.39Å; C56-R60 VanDerWaalsContact O-CG 3.31Å; C56-R60 WeakPolarHBondContact O-CG 3.3Å; C56-R60 PolarHBondContact O-N 2.95Å; N58-R60 PolarHBondContact O-N 2.87Å; R60-L64 WeakPolarHBondContact O-CB 3.49Å; R60-L64 PolarHBondContact O-N 3.01Å |
| 61 | T | 63.3 | Low | 63.7 | Low | 80 Ų | 80 | 86.6 Ų | 86.6 | 49% | 0.491 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68 | -41.9 | 177.5 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | C57 N58 F59 L64 V65 | C57-T61 WeakPolarHBondContact O-CB 3.35Å; C57-T61 PolarHBondContact O-N 3.37Å; C57-T61 PolarHBondContact O-OG1 3.43Å; N58-T61 CarbonylContact O-C 3.56Å; N58-T61 WeakPolarHBondContact O-CA 3.44Å; N58-T61 WeakPolarHBondContact O-CB 3.45Å; N58-T61 PolarHBondContact O-N 3.09Å; N58-T61 VanDerWaalsContact O-N 3.09Å; F59-T61 VanDerWaalsContact C-N 3.31Å; F59-T61 PolarHBondContact O-N 2.97Å; T61-L64 PolarHBondContact O-N 3.36Å; T61-V65 WeakPolarHBondContact O-CB 3.43Å; T61-V65 VanDerWaalsContact O-CG2 3.28Å; T61-V65 WeakPolarHBondContact O-CG2 3.45Å; T61-V65 PolarHBondContact O-N 3.35Å |
| 62 | E | 67.3 | Low | 63 | Low | 143 Ų | 143 | 84 Ų | 84 | 67% | 0.668 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -68.9 | -39 | 175.4 | -70 | -165.7 | 148 | 0 | 0 | 112.5 | N58 F59 L64 V65 S66 | N58-E62 PolarHBondContact O-N 3.21Å; F59-E62 PolarHBondContact O-N 2.8Å; E62-L64 PolarHBondContact O-N 2.94Å; E62-V65 PolarHBondContact O-N 2.85Å; E62-S66 WeakPolarHBondContact O-CB 3.41Å; E62-S66 PolarHBondContact O-N 3.43Å |
| 63 | M | 61.9 | Low | 62.1 | Low | 42 Ų | 42 | 84.1 Ų | 84.1 | 21% | 0.207 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 169.7 | -81.1 | -155.9 | -58 | 0 | 0 | 111.7 | M22 I26 F59 S66 T67 | M22-M63 HydrophobicContact CE-CG 3.57Å; M22-M63 HydrophobicContact CE-SD 4.06Å; M22-M63 HydrophobicContact SD-CG 4.2Å; M22-M63 HydrophobicContact SD-SD 4.19Å; I26-M63 HydrophobicContact CD1-CE 4.27Å; I26-M63 HydrophobicContact CD1-SD 4.35Å; F59-M63 HydrophobicContact CD1-CE 3.99Å; F59-M63 HydrophobicContact CD1-CG 4.27Å; F59-M63 HydrophobicContact CD1-SD 4.36Å; F59-M63 HydrophobicContact CE1-CE 3.71Å; F59-M63 HydrophobicContact CE1-CG 3.91Å; F59-M63 HydrophobicContact CE1-SD 3.64Å; F59-M63 HydrophobicContact CZ-CG 4.3Å; F59-M63 HydrophobicContact CZ-SD 4.22Å; F59-M63 WeakPolarHBondContact O-CB 3.25Å; F59-M63 PolarHBondContact O-N 3.46Å; M63-S66 PolarHBondContact O-N 3.21Å; M63-T67 VanDerWaalsContact O-CB 3.32Å; M63-T67 WeakPolarHBondContact O-CB 3.49Å; M63-T67 PolarHBondContact O-N 3.28Å; M63-T67 PolarHBondContact O-OG1 2.86Å |
| 64 | L | 57.8 | Low | 61.4 | Low | 104 Ų | 104 | 86.1 Ų | 86.1 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 177.7 | -178.7 | 61.7 | 0 | 0 | 0 | 111.2 | R60 T61 E62 T67 L68 | R60-L64 WeakPolarHBondContact O-CB 3.49Å; R60-L64 PolarHBondContact O-N 3.01Å; T61-L64 PolarHBondContact O-N 3.36Å; E62-L64 PolarHBondContact O-N 2.94Å; L64-T67 PolarHBondContact O-N 3.46Å; L64-L68 HydrophobicContact CD1-CD1 3.98Å; L64-L68 HydrophobicContact CD1-CG 4.19Å; L64-L68 HydrophobicContact CG-CD1 3.91Å; L64-L68 HydrophobicContact CG-CG 4.49Å; L64-L68 VanDerWaalsContact O-CB 3.29Å; L64-L68 WeakPolarHBondContact O-CB 3.37Å; L64-L68 WeakPolarHBondContact O-CG 3.34Å; L64-L68 PolarHBondContact O-N 3.41Å |
| 65 | V | 59.1 | Low | 60.8 | Low | 60 Ų | 60 | 86.1 Ų | 86.1 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.4 | -34 | 177.4 | 169.8 | 0 | 0 | 0 | 0 | 112.4 | T61 E62 R69 | T61-V65 WeakPolarHBondContact O-CB 3.43Å; T61-V65 VanDerWaalsContact O-CG2 3.28Å; T61-V65 WeakPolarHBondContact O-CG2 3.45Å; T61-V65 PolarHBondContact O-N 3.35Å; E62-V65 PolarHBondContact O-N 2.85Å; V65-R69 WeakPolarHBondContact O-CB 3.31Å; V65-R69 WeakPolarHBondContact O-CD 3.35Å; V65-R69 WeakPolarHBondContact O-CG 3.34Å; V65-R69 PolarHBondContact O-N 3.33Å |
| 66 | S | 63.6 | Low | 60.1 | Low | 55 Ų | 55 | 85.2 Ų | 85.2 | 39% | 0.385 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.2 | -48.6 | 170.4 | -160.8 | 0 | 0 | 0 | 0 | 110.3 | E62 M63 L68 R69 D70 | E62-S66 WeakPolarHBondContact O-CB 3.41Å; E62-S66 PolarHBondContact O-N 3.43Å; M63-S66 PolarHBondContact O-N 3.21Å; S66-L68 VanDerWaalsContact C-N 3.25Å; S66-L68 PolarHBondContact O-N 2.95Å; S66-R69 CarbonylContact O-C 3.59Å; S66-R69 WeakPolarHBondContact O-CA 3.4Å; S66-R69 WeakPolarHBondContact O-CB 3.32Å; S66-R69 PolarHBondContact O-N 3.46Å; S66-D70 VanDerWaalsContact C-OD2 3.26Å; S66-D70 WeakPolarHBondContact O-CB 3.49Å; S66-D70 VanDerWaalsContact O-CG 3.26Å; S66-D70 PolarHBondContact O-N 3.48Å; S66-D70 PolarHBondContact OG-OD2 2.91Å |
| 67 | T | 54.4 | Low | 59.5 | Low | 77 Ų | 77 | 87.8 Ų | 87.8 | 47% | 0.472 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.3 | -38 | 178.2 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | M63 L64 R69 D70 C71 | M63-T67 VanDerWaalsContact O-CB 3.32Å; M63-T67 WeakPolarHBondContact O-CB 3.49Å; M63-T67 PolarHBondContact O-N 3.28Å; M63-T67 PolarHBondContact O-OG1 2.86Å; L64-T67 PolarHBondContact O-N 3.46Å; T67-R69 VanDerWaalsContact C-N 3.26Å; T67-R69 PolarHBondContact O-N 2.93Å; T67-D70 PolarHBondContact O-N 3.25Å; T67-C71 VanDerWaalsContact O-CB 3.3Å; T67-C71 WeakPolarHBondContact O-CB 3.36Å; T67-C71 PolarHBondContact O-N 3.32Å; T67-C71 PolarHBondContact O-SG 2.87Å |
| 68 | L | 50.8 | Low | 59.4 | Low | 93 Ų | 93 | 88.9 Ų | 88.9 | 49% | 0.487 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -77.4 | 0 | 173 | -67.9 | 172.6 | 0 | 0 | 0 | 114.7 | L64 S66 V73 | L64-L68 HydrophobicContact CD1-CD1 3.98Å; L64-L68 HydrophobicContact CD1-CG 4.19Å; L64-L68 HydrophobicContact CG-CD1 3.91Å; L64-L68 HydrophobicContact CG-CG 4.49Å; L64-L68 VanDerWaalsContact O-CB 3.29Å; L64-L68 WeakPolarHBondContact O-CB 3.37Å; L64-L68 WeakPolarHBondContact O-CG 3.34Å; L64-L68 PolarHBondContact O-N 3.41Å; S66-L68 VanDerWaalsContact C-N 3.25Å; S66-L68 PolarHBondContact O-N 2.95Å; L68-V73 WeakPolarHBondContact O-CG2 3.43Å |
| 69 | R | 56.1 | Low | 59.5 | Low | 173 Ų | 173 | 88.3 Ų | 88.3 | 65% | 0.653 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -112.6 | -16.1 | 168.5 | -71.8 | 169.4 | 177.8 | -174.1 | 2.7 | 112.9 | V65 S66 T67 | V65-R69 WeakPolarHBondContact O-CB 3.31Å; V65-R69 WeakPolarHBondContact O-CD 3.35Å; V65-R69 WeakPolarHBondContact O-CG 3.34Å; V65-R69 PolarHBondContact O-N 3.33Å; S66-R69 CarbonylContact O-C 3.59Å; S66-R69 WeakPolarHBondContact O-CA 3.4Å; S66-R69 WeakPolarHBondContact O-CB 3.32Å; S66-R69 PolarHBondContact O-N 3.46Å; T67-R69 VanDerWaalsContact C-N 3.26Å; T67-R69 PolarHBondContact O-N 2.93Å |
| 70 | D | 53.3 | Low | 59.6 | Low | 74 Ų | 74 | 91.6 Ų | 91.6 | 40% | 0.396 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -93.7 | -34.4 | 178 | -71.8 | -50.6 | 0 | 0 | 0 | 110.8 | R15 S66 T67 D72 | R15-D70 WeakPolarHBondContact CD-OD1 3.22Å; R15-D70 IonicContact CZ-OD1 2.77Å; R15-D70 IonicContact NE-OD1 3.16Å; R15-D70 IonicContact NH1-OD1 2.75Å; R15-D70 PolarHBondContact NH1-OD1 3.47Å; S66-D70 VanDerWaalsContact C-OD2 3.26Å; S66-D70 WeakPolarHBondContact O-CB 3.49Å; S66-D70 VanDerWaalsContact O-CG 3.26Å; S66-D70 PolarHBondContact O-N 3.48Å; S66-D70 PolarHBondContact OG-OD2 2.91Å; T67-D70 PolarHBondContact O-N 3.25Å; D70-D72 PolarHBondContact O-N 2.91Å |
| 71 | C | 47.8 | Very low | 59.9 | Low | 58 Ų | 58 | 92.2 Ų | 92.2 | 39% | 0.392 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -65.2 | 117.4 | 149.5 | -70 | 0 | 0 | 0 | 0 | 108 | T67 V73 L76 | T67-C71 VanDerWaalsContact O-CB 3.3Å; T67-C71 WeakPolarHBondContact O-CB 3.36Å; T67-C71 PolarHBondContact O-N 3.32Å; T67-C71 PolarHBondContact O-SG 2.87Å; C71-V73 VanDerWaalsContact C-N 3.34Å; C71-V73 PolarHBondContact O-N 3.46Å; C71-L76 HydrophobicContact CB-CD1 4.09Å |
| 72 | D | 57.3 | Low | 60.3 | Low | 110 Ų | 110 | 95.1 Ų | 95.1 | 59% | 0.588 | 47% | 0.47 | S | S | * | . | trans | -60.3 | 98.6 | 165.2 | -88.9 | -42 | 0 | 0 | 0 | 108.4 | D70 D74 F75 L76 | D70-D72 PolarHBondContact O-N 2.91Å; D72-D74 PolarHBondContact O-N 3.36Å; D72-F75 HydrophobicContact CB-CB 3.43Å; D72-F75 VanDerWaalsContact CB-CB 3.43Å; D72-F75 WeakPolarHBondContact O-CA 3.46Å; D72-F75 WeakPolarHBondContact O-CB 3.42Å; D72-F75 PolarHBondContact O-N 3.06Å; D72-L76 PolarHBondContact O-N 2.91Å | ||
| 73 | V | 53.6 | Low | 60.6 | Low | 63 Ų | 63 | 97.5 Ų | 97.5 | 38% | 0.382 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.9 | -34.6 | 173.5 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | L68 C71 F75 L76 L77 | L68-V73 WeakPolarHBondContact O-CG2 3.43Å; C71-V73 VanDerWaalsContact C-N 3.34Å; C71-V73 PolarHBondContact O-N 3.46Å; V73-F75 PolarHBondContact O-N 3.19Å; V73-L76 PolarHBondContact O-N 2.9Å; V73-L77 HydrophobicContact CG1-CD1 3.96Å; V73-L77 HydrophobicContact CG1-CG 4.3Å; V73-L77 VanDerWaalsContact O-CB 3.28Å; V73-L77 WeakPolarHBondContact O-CB 3.48Å; V73-L77 VanDerWaalsContact O-CG 3.25Å; V73-L77 WeakPolarHBondContact O-CG 3.32Å; V73-L77 PolarHBondContact O-N 3.24Å |
| 74 | D | 56.2 | Low | 61.1 | Low | 117 Ų | 117 | 98.8 Ų | 98.8 | 63% | 0.626 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67 | -32 | 174.4 | -59.3 | -29.2 | 0 | 0 | 0 | 112.4 | D72 Q78 | D72-D74 PolarHBondContact O-N 3.36Å; D74-Q78 VanDerWaalsContact O-CB 3.27Å; D74-Q78 WeakPolarHBondContact O-CB 3.47Å; D74-Q78 VanDerWaalsContact O-CG 3.25Å; D74-Q78 WeakPolarHBondContact O-CG 3.35Å; D74-Q78 PolarHBondContact O-N 3.44Å |
| 75 | F | 60.8 | Low | 61.8 | Low | 110 Ų | 110 | 98.5 Ų | 98.5 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.9 | -44.3 | 171.7 | 179.5 | -95.3 | 0 | 0 | 0 | 111 | D72 V73 L77 Q78 Q79 | D72-F75 HydrophobicContact CB-CB 3.43Å; D72-F75 VanDerWaalsContact CB-CB 3.43Å; D72-F75 WeakPolarHBondContact O-CA 3.46Å; D72-F75 WeakPolarHBondContact O-CB 3.42Å; D72-F75 PolarHBondContact O-N 3.06Å; V73-F75 PolarHBondContact O-N 3.19Å; F75-L77 VanDerWaalsContact C-N 3.33Å; F75-L77 PolarHBondContact O-N 3.42Å; F75-Q78 PolarHBondContact O-N 3.29Å; F75-Q79 HydrophobicContact CD1-CG 4Å; F75-Q79 HydrophobicContact CE1-CG 3.72Å; F75-Q79 HydrophobicContact CE2-CG 4.3Å; F75-Q79 HydrophobicContact CG-CG 4.41Å; F75-Q79 HydrophobicContact CZ-CG 3.9Å; F75-Q79 WeakPolarHBondContact O-CB 3.4Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.03Å |
| 76 | L | 57.8 | Low | 61.7 | Low | 102 Ų | 102 | 97.4 Ų | 97.4 | 53% | 0.534 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 177.5 | -68.5 | 174 | 0 | 0 | 0 | 111.7 | C71 D72 V73 Q79 Y80 | C71-L76 HydrophobicContact CB-CD1 4.09Å; D72-L76 PolarHBondContact O-N 2.91Å; V73-L76 PolarHBondContact O-N 2.9Å; L76-Q79 PolarHBondContact O-N 3.37Å; L76-Y80 WeakPolarHBondContact O-CB 3.3Å; L76-Y80 PolarHBondContact O-N 3.32Å |
| 77 | L | 60.3 | Low | 61.3 | Low | 74 Ų | 74 | 100.6 Ų | 100.6 | 39% | 0.387 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -51.4 | 169.9 | -75.3 | 169.5 | 0 | 0 | 0 | 110.9 | V73 F75 Q79 Y80 E81 | V73-L77 HydrophobicContact CG1-CD1 3.96Å; V73-L77 HydrophobicContact CG1-CG 4.3Å; V73-L77 VanDerWaalsContact O-CB 3.28Å; V73-L77 WeakPolarHBondContact O-CB 3.48Å; V73-L77 VanDerWaalsContact O-CG 3.25Å; V73-L77 WeakPolarHBondContact O-CG 3.32Å; V73-L77 PolarHBondContact O-N 3.24Å; F75-L77 VanDerWaalsContact C-N 3.33Å; F75-L77 PolarHBondContact O-N 3.42Å; L77-Q79 PolarHBondContact O-N 2.7Å; L77-Y80 CarbonylContact O-C 3.58Å; L77-Y80 WeakPolarHBondContact O-CA 3.43Å; L77-Y80 WeakPolarHBondContact O-CB 3.33Å; L77-Y80 PolarHBondContact O-N 2.93Å; L77-E81 WeakPolarHBondContact O-CB 3.28Å; L77-E81 WeakPolarHBondContact O-CG 3.18Å; L77-E81 PolarHBondContact O-N 3.32Å |
| 78 | Q | 65.2 | Low | 61.1 | Low | 92 Ų | 92 | 104.3 Ų | 104.3 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -27.8 | 177.3 | -81.7 | -173.8 | 16.5 | 0 | 0 | 114.3 | D74 F75 R82 | D74-Q78 VanDerWaalsContact O-CB 3.27Å; D74-Q78 WeakPolarHBondContact O-CB 3.47Å; D74-Q78 VanDerWaalsContact O-CG 3.25Å; D74-Q78 WeakPolarHBondContact O-CG 3.35Å; D74-Q78 PolarHBondContact O-N 3.44Å; F75-Q78 PolarHBondContact O-N 3.29Å; Q78-R82 WeakPolarHBondContact O-CB 3.48Å; Q78-R82 WeakPolarHBondContact O-CG 3.42Å; Q78-R82 PolarHBondContact O-N 3.46Å; Q78-R82 PolarHBondContact O-NE 2.86Å; Q78-R82 VanDerWaalsContact O-NE 3.17Å |
| 79 | Q | 69.1 | Low | 61.1 | Low | 73 Ų | 73 | 107.5 Ų | 107.5 | 34% | 0.341 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -78.9 | -31.1 | 173.9 | -68.8 | -68 | -11.8 | 0 | 0 | 111.8 | F75 L76 L77 R83 | F75-Q79 HydrophobicContact CD1-CG 4Å; F75-Q79 HydrophobicContact CE1-CG 3.72Å; F75-Q79 HydrophobicContact CE2-CG 4.3Å; F75-Q79 HydrophobicContact CG-CG 4.41Å; F75-Q79 HydrophobicContact CZ-CG 3.9Å; F75-Q79 WeakPolarHBondContact O-CB 3.4Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.03Å; L76-Q79 PolarHBondContact O-N 3.37Å; L77-Q79 PolarHBondContact O-N 2.7Å; Q79-R83 WeakPolarHBondContact O-CB 3.22Å; Q79-R83 WeakPolarHBondContact O-CG 3.37Å; Q79-R83 PolarHBondContact O-N 2.78Å |
| 80 | Y | 68.5 | Low | 60.7 | Low | 148 Ų | 148 | 105.3 Ų | 105.3 | 58% | 0.58 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72.3 | -46.9 | 173.2 | -178.3 | -101.5 | 0 | 0 | 0 | 111.6 | L76 L77 R83 N84 | L76-Y80 WeakPolarHBondContact O-CB 3.3Å; L76-Y80 PolarHBondContact O-N 3.32Å; L77-Y80 CarbonylContact O-C 3.58Å; L77-Y80 WeakPolarHBondContact O-CA 3.43Å; L77-Y80 WeakPolarHBondContact O-CB 3.33Å; L77-Y80 PolarHBondContact O-N 2.93Å; Y80-R83 PolarHBondContact O-N 3.33Å; Y80-N84 WeakPolarHBondContact CE1-ND2 3.12Å; Y80-N84 VanDerWaalsContact CZ-ND2 3.3Å; Y80-N84 PolarHBondContact O-N 3.49Å; Y80-N84 PolarHBondContact OH-ND2 2.94Å |
| 81 | E | 73.7 | Confident | 60.2 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 42% | 0.416 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -56.7 | -55.1 | 172.3 | -69.8 | 168.2 | 165.6 | 0 | 0 | 110.3 | L77 R83 N84 D85 | L77-E81 WeakPolarHBondContact O-CB 3.28Å; L77-E81 WeakPolarHBondContact O-CG 3.18Å; L77-E81 PolarHBondContact O-N 3.32Å; E81-R83 PolarHBondContact O-N 3.37Å; E81-R83 VanDerWaalsContact O-N 3.12Å; E81-N84 PolarHBondContact O-N 3.35Å; E81-D85 WeakPolarHBondContact O-CB 3.17Å; E81-D85 VanDerWaalsContact O-CG 3.32Å; E81-D85 PolarHBondContact O-N 3.41Å |
| 82 | R | 72 | Confident | 59.9 | Low | 141 Ų | 141 | 111.9 Ų | 111.9 | 53% | 0.532 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.2 | -28.9 | 176.9 | -78.7 | -176.5 | -100.9 | -165.3 | -9.9 | 114.3 | Q78 G86 | Q78-R82 WeakPolarHBondContact O-CB 3.48Å; Q78-R82 WeakPolarHBondContact O-CG 3.42Å; Q78-R82 PolarHBondContact O-N 3.46Å; Q78-R82 PolarHBondContact O-NE 2.86Å; Q78-R82 VanDerWaalsContact O-NE 3.17Å; R82-G86 PolarHBondContact O-N 2.83Å; R82-G86 VanDerWaalsContact O-N 3.12Å |
| 83 | R | 73.7 | Confident | 59.2 | Low | 193 Ų | 193 | 113.4 Ų | 113.4 | 73% | 0.728 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -75.6 | -37 | 173.4 | -84.8 | -177.6 | 170.5 | -165.6 | -2.5 | 113 | Q79 Y80 E81 N87 | Q79-R83 WeakPolarHBondContact O-CB 3.22Å; Q79-R83 WeakPolarHBondContact O-CG 3.37Å; Q79-R83 PolarHBondContact O-N 2.78Å; Y80-R83 PolarHBondContact O-N 3.33Å; E81-R83 PolarHBondContact O-N 3.37Å; E81-R83 VanDerWaalsContact O-N 3.12Å; R83-N87 PolarHBondContact O-N 3.22Å |
| 84 | N | 72.6 | Confident | 58.6 | Low | 69 Ų | 69 | 117.9 Ų | 117.9 | 37% | 0.369 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -75.1 | -46 | 178 | -74.3 | -10.2 | 0 | 0 | 0 | 111.5 | Y80 E81 G86 N87 M88 | Y80-N84 WeakPolarHBondContact CE1-ND2 3.12Å; Y80-N84 VanDerWaalsContact CZ-ND2 3.3Å; Y80-N84 PolarHBondContact O-N 3.49Å; Y80-N84 PolarHBondContact OH-ND2 2.94Å; E81-N84 PolarHBondContact O-N 3.35Å; N84-G86 VanDerWaalsContact C-N 3.33Å; N84-G86 PolarHBondContact O-N 3.09Å; N84-N87 WeakPolarHBondContact O-CB 3.12Å; N84-N87 PolarHBondContact O-N 3.19Å; N84-N87 VanDerWaalsContact O-N 3.11Å; N84-M88 PolarHBondContact O-N 3.46Å |
| 85 | D | 72.5 | Confident | 57.6 | Low | 98 Ų | 98 | 118.9 Ų | 118.9 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.4 | -39.5 | 177.6 | -61.2 | -22.4 | 0 | 0 | 0 | 111.1 | E81 N87 M88 H89 | E81-D85 WeakPolarHBondContact O-CB 3.17Å; E81-D85 VanDerWaalsContact O-CG 3.32Å; E81-D85 PolarHBondContact O-N 3.41Å; D85-N87 PolarHBondContact O-N 3.33Å; D85-M88 PolarHBondContact O-N 2.83Å; D85-H89 PolarHBondContact O-N 2.71Å |
| 86 | G | 56 | Low | 56.4 | Low | 36 Ų | 36 | 124.1 Ų | 124.1 | 37% | 0.371 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.6 | -24.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R82 N84 N90 | R82-G86 PolarHBondContact O-N 2.83Å; R82-G86 VanDerWaalsContact O-N 3.12Å; N84-G86 VanDerWaalsContact C-N 3.33Å; N84-G86 PolarHBondContact O-N 3.09Å; G86-N90 PolarHBondContact O-ND2 2.97Å |
| 87 | N | 54.6 | Low | 55.6 | Low | 123 Ų | 123 | 125.6 Ų | 125.6 | 66% | 0.658 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -85.3 | -27 | 172.3 | -96.6 | -3.1 | 0 | 0 | 0 | 112.9 | R83 N84 D85 | R83-N87 PolarHBondContact O-N 3.22Å; N84-N87 WeakPolarHBondContact O-CB 3.12Å; N84-N87 PolarHBondContact O-N 3.19Å; N84-N87 VanDerWaalsContact O-N 3.11Å; D85-N87 PolarHBondContact O-N 3.33Å |
| 88 | M | 51.8 | Low | 54.4 | Low | 154 Ų | 154 | 128.7 Ų | 128.7 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -75.4 | -26.1 | 178.1 | -79.2 | -69 | -177.9 | 0 | 0 | 113.4 | N84 D85 | N84-M88 PolarHBondContact O-N 3.46Å; D85-M88 PolarHBondContact O-N 2.83Å |
| 89 | H | 51.1 | Low | 53.1 | Low | 160 Ų | 160 | 129.2 Ų | 129.2 | 74% | 0.741 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 8.2 | -174.3 | -79.8 | -59.2 | 0 | 0 | 0 | 116.3 | D85 | D85-H89 PolarHBondContact O-N 2.71Š|
| 90 | N | 45.9 | Very low | 51.4 | Low | 128 Ų | 128 | 131.3 Ų | 131.3 | 68% | 0.684 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -126.1 | 29.8 | 178.3 | -77.4 | -57.5 | 0 | 0 | 0 | 113.7 | G86 | G86-N90 PolarHBondContact O-ND2 2.97Š|
| 91 | L | 44.7 | Very low | 49.7 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 78% | 0.78 | 68% | 0.68 | S | S | * | * | trans | -113.5 | 33.4 | -179.8 | -82.8 | 169.6 | 0 | 0 | 0 | 114 | ||||
| 92 | T | 40.3 | Very low | 47.8 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -144.1 | 116.9 | 165.7 | 42.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 93 | D | 41.9 | Very low | 45.9 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | trans | 63.1 | 126.5 | 153.8 | -58.1 | -31.6 | 0 | 0 | 0 | 122.4 | ||||
| 94 | H | 42.6 | Very low | 43.9 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | 78.6 | 121.8 | 155.7 | -67.8 | -62.2 | 0 | 0 | 0 | 122.7 | ||||
| 95 | D | 34.1 | Very low | 42 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | 62.6 | 58.9 | 138.6 | -57.5 | 6.5 | 0 | 0 | 0 | 119.7 | T97 | D95-T97 PolarHBondContact O-N 2.99Š| ||
| 96 | Y | 35.4 | Very low | 40.3 | Very low | 219 Ų | 219 | 139.9 Ų | 139.9 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | trans | -83.2 | 90.5 | 160.7 | -105.6 | -90.9 | 0 | 0 | 0 | 112.9 | N98 | Y96-N98 PolarHBondContact O-N 3.08Š| ||
| 97 | T | 40.9 | Very low | 39.1 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | -77.3 | 99.1 | 161.3 | 35.7 | 0 | 0 | 0 | 0 | 110.5 | D95 | D95-T97 PolarHBondContact O-N 2.99Š| ||
| 98 | N | 35.3 | Very low | 37.8 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -62.3 | 143.1 | 175.9 | -171.3 | -12.5 | 0 | 0 | 0 | 111.6 | Y96 | Y96-N98 PolarHBondContact O-N 3.08Š| ||
| 99 | P | 37.8 | Very low | 37 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | -142 | 158.5 | 126.1 | 40.1 | -28.7 | 0 | 0 | 0 | 116.3 | |||||
| 100 | T | 34.9 | Very low | 36.1 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | trans | 87 | 61.4 | 154.2 | -21.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 101 | M | 32 | Very low | 35.5 | Very low | 189 Ų | 189 | 140.4 Ų | 140.4 | 93% | 0.931 | 78% | 0.783 | S | S | * | * | trans | -89 | 90.6 | 132.4 | -106.4 | -154 | -175.2 | 0 | 0 | 109 | ||||
| 102 | N | 33.1 | Very low | 35 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -172.1 | 168.9 | 153.3 | -114.2 | -35.5 | 0 | 0 | 0 | 112.8 | ||||
| 103 | T | 33.5 | Very low | 34.7 | Very low | 110 Ų | 110 | 140 Ų | 140 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | trans | 70.1 | 68.8 | 167.7 | -39.2 | 0 | 0 | 0 | 0 | 116.2 | M105 | T103-M105 HydrophobicContact CG2-CB 4.28Å; T103-M105 PolarHBondContact O-N 3.22Å | ||
| 104 | L | 30.4 | Very low | 34.3 | Very low | 179 Ų | 179 | 139 Ų | 139 | 94% | 0.937 | 78% | 0.782 | S | S | * | * | trans | -55.8 | 105.9 | 131.4 | -101 | 157.3 | 0 | 0 | 0 | 108 | ||||
| 105 | M | 33.6 | Very low | 34 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | 167.8 | 153.7 | 155.9 | -90.5 | -94.7 | -123.8 | 0 | 0 | 110.9 | T103 | T103-M105 HydrophobicContact CG2-CB 4.28Å; T103-M105 PolarHBondContact O-N 3.22Å | ||
| 106 | T | 36 | Very low | 34 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | trans | 69.3 | 99.7 | 171.2 | -24.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 107 | A | 30.9 | Very low | 33.9 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | trans | -90 | 139.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 108 | G | 28.2 | Very low | 33.7 | Very low | 64 Ų | 64 | 132.9 Ų | 132.9 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | 159 | 147.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 109 | S | 34.9 | Very low | 33.7 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 51.1 | 88.8 | 166.5 | 56.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 110 | D | 32 | Very low | 33.7 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | 39.1 | 153.7 | 109.4 | -60.2 | -67.7 | 0 | 0 | 0 | 123.7 | |||||
| 111 | E | 34 | Very low | 33.8 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | 96.6 | 125.1 | 148.7 | -89.5 | -162.2 | 137.1 | 0 | 0 | 123.6 | ||||
| 112 | I | 33.5 | Very low | 34.2 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | 90.9 | 93.3 | 145.8 | -61 | 160 | 0 | 0 | 0 | 120.9 | ||||
| 113 | V | 34.3 | Very low | 34.3 | Very low | 127 Ų | 127 | 143 Ų | 143 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | 47.4 | 130.1 | 127.5 | -172.6 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 114 | P | 33.5 | Very low | 34.6 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -104.8 | 152.6 | 172.8 | 39.4 | -33.3 | 0 | 0 | 0 | 116.1 | ||||
| 115 | T | 36.5 | Very low | 35.1 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | trans | -159 | 153.9 | 168.4 | 48 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 116 | S | 34.3 | Very low | 35.3 | Very low | 94 Ų | 94 | 146.7 Ų | 146.7 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | cis | -172.6 | 159 | -23.5 | 51.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 117 | E | 33.3 | Very low | 35.5 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | 45.9 | 122.3 | 156.8 | -63 | -179 | 124.9 | 0 | 0 | 122.1 | ||||
| 118 | A | 35.9 | Very low | 35.8 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | -167.5 | 129.2 | 117.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 119 | Q | 34.4 | Very low | 36.5 | Very low | 176 Ų | 176 | 150.6 Ų | 150.6 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -105.8 | 149.6 | 164.4 | -69.8 | -174.3 | -6.9 | 0 | 0 | 109.8 | ||||
| 120 | H | 38.8 | Very low | 36.7 | Very low | 194 Ų | 194 | 153.1 Ų | 153.1 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -154.6 | 142.4 | 141.1 | -123.3 | -83.3 | 0 | 0 | 0 | 112.9 | ||||
| 121 | R | 36.2 | Very low | 37.1 | Very low | 223 Ų | 223 | 148.4 Ų | 148.4 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -109.6 | 149.4 | 175.5 | -62.6 | 171.2 | 171.8 | 170 | -4.6 | 110.6 | ||||
| 122 | V | 41.7 | Very low | 37.3 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -146.7 | 144.8 | 143.5 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 123 | M | 33.9 | Very low | 37.7 | Very low | 172 Ų | 172 | 146.4 Ų | 146.4 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | -114.5 | 149 | 168.1 | -89.5 | -161.4 | -67.2 | 0 | 0 | 110.6 | ||||
| 124 | N | 40.8 | Very low | 38 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -177.2 | 167.1 | 145.7 | -91.1 | -35.2 | 0 | 0 | 0 | 109.7 | ||||
| 125 | R | 39.9 | Very low | 38 | Very low | 187 Ų | 187 | 147.4 Ų | 147.4 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | -177.5 | 146.4 | -57.5 | -143.5 | -167.7 | 175.4 | 176.2 | 0.3 | 106.7 | |||||
| 126 | R | 39.1 | Very low | 38.2 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | 69.4 | 155.3 | 158.1 | -71.5 | -172 | 162.4 | 162.7 | -4.6 | 117.9 | ||||
| 127 | D | 39.6 | Very low | 38.2 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | cis | -144.7 | 152.1 | -9.4 | -91.1 | -30.8 | 0 | 0 | 0 | 107.7 | ||||
| 128 | A | 36.7 | Very low | 38.4 | Very low | 77 Ų | 77 | 146.2 Ų | 146.2 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | 52.8 | 143.2 | 101.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 129 | E | 42.8 | Very low | 38.2 | Very low | 184 Ų | 184 | 147.9 Ų | 147.9 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | cis | -161.4 | 172.3 | 20.8 | -100.2 | 134.2 | -129.7 | 0 | 0 | 108.2 | ||||
| 130 | E | 39.4 | Very low | 38.2 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | cis | -166.6 | -167.8 | -31.2 | -148.2 | -116.8 | -104 | 0 | 0 | 108.4 | ||||
| 131 | G | 40.1 | Very low | 37.9 | Very low | 58 Ų | 58 | 148.7 Ų | 148.7 | 60% | 0.598 | 76% | 0.763 | S | S | * | * | trans | 106.9 | 124.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 132 | Q | 39.5 | Very low | 37.7 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | cis | 71.3 | 134.3 | 42.3 | -60 | -165.5 | -0.3 | 0 | 0 | 114.1 | ||||
| 133 | N | 41.1 | Very low | 37.4 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 57% | 0.572 | 77% | 0.767 | S | S | * | * | cis | -155.3 | 168.6 | 7.9 | -124 | 19.9 | 0 | 0 | 0 | 113.7 | ||||
| 134 | E | 40 | Very low | 37.3 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 42.2 | 108.5 | 144.8 | -66.9 | 165.7 | 143.6 | 0 | 0 | 120 | ||||
| 135 | S | 34.7 | Very low | 36.8 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | 84.7 | 109.7 | 64.7 | 74.6 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 136 | A | 39.3 | Very low | 36.4 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -156.3 | 139.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 137 | T | 35.1 | Very low | 36.2 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -82.2 | 151.2 | -177.4 | 48.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 138 | T | 37.6 | Very low | 36 | Very low | 144 Ų | 144 | 149.2 Ų | 149.2 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -150.3 | 148.3 | 148.4 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 139 | E | 32.5 | Very low | 36 | Very low | 139 Ų | 139 | 154.1 Ų | 154.1 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | trans | -78.4 | 178.1 | -174.9 | -46 | 176.8 | 111.7 | 0 | 0 | 115.3 | ||||
| 140 | R | 33.3 | Very low | 35.9 | Very low | 207 Ų | 207 | 147.3 Ų | 147.3 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | 83.1 | 142.5 | 159.8 | -60.6 | 148.8 | -159.9 | -135.7 | 1 | 114.5 | ||||
| 141 | Q | 33.3 | Very low | 36.4 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | cis | -136.3 | 154 | 12.2 | -129.4 | 149.3 | -38.1 | 0 | 0 | 110.8 | ||||
| 142 | Y | 31.1 | Very low | 36.6 | Very low | 237 Ų | 237 | 148 Ų | 148 | 93% | 0.929 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 125.2 | 168.2 | -93.6 | -96.8 | 0 | 0 | 0 | 109.4 | ||
| 143 | D | 35.5 | Very low | 37.4 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 156.8 | 167.6 | -89.5 | -53.7 | 0 | 0 | 0 | 112.2 | ||
| 144 | Q | 31.1 | Very low | 38.3 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 142.1 | -173.2 | -66.1 | 177.7 | -26.2 | 0 | 0 | 112.6 | Q146 | Q144-Q146 PolarHBondContact O-N 3Š|
| 145 | P | 31.5 | Very low | 39.3 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 118.4 | 160.4 | 30.3 | -31.3 | 0 | 0 | 0 | 109.3 | ||
| 146 | Q | 31.3 | Very low | 40.3 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 88% | 0.879 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 146.4 | 176.5 | -164.8 | 171.4 | 8.3 | 0 | 0 | 110.8 | Q144 D148 | Q144-Q146 PolarHBondContact O-N 3Å; Q146-D148 PolarHBondContact O-N 2.68Å; Q146-D148 VanDerWaalsContact O-N 3.12Å |
| 147 | D | 34.5 | Very low | 41.3 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 87% | 0.866 | 69% | 0.685 | S | S | * | * | trans | -60 | 111.5 | -173.6 | -77.3 | -70.4 | 0 | 0 | 0 | 113.6 | E149 | D147-E149 PolarHBondContact O-N 2.73Š| ||
| 148 | D | 34.8 | Very low | 42.6 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | trans | -79.5 | 111.1 | -177.8 | -149.2 | 8.3 | 0 | 0 | 0 | 110.4 | Q146 S150 | Q146-D148 PolarHBondContact O-N 2.68Å; Q146-D148 VanDerWaalsContact O-N 3.12Å; D148-S150 PolarHBondContact O-N 2.86Å | ||
| 149 | E | 38.3 | Very low | 43.7 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 65% | 0.649 | S | S | * | * | trans | -61.3 | 122.6 | -174.3 | -76.3 | -158.2 | 108.1 | 0 | 0 | 112.6 | D147 W151 | D147-E149 PolarHBondContact O-N 2.73Å; E149-W151 PolarHBondContact O-N 2.75Å | ||
| 150 | S | 39.3 | Very low | 44.7 | Very low | 40 Ų | 40 | 132.7 Ų | 132.7 | 28% | 0.28 | 63% | 0.63 | S | S | . | * | trans | -70.8 | 108.8 | -179 | 72.4 | 0 | 0 | 0 | 0 | 111.4 | D148 L152 R157 | D148-S150 PolarHBondContact O-N 2.86Å; S150-L152 PolarHBondContact O-N 3.22Å; S150-R157 WeakPolarHBondContact OG-CD 3.49Å; S150-R157 PolarHBondContact OG-NE 3.39Å; S150-R157 PolarHBondContact OG-NH1 3.4Å; S150-R157 VanDerWaalsContact OG-NH1 3.08Å | ||
| 151 | W | 51.3 | Low | 45.8 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 72% | 0.716 | 62% | 0.623 | S | S | * | * | trans | -67.6 | 40.9 | 176.4 | 39.3 | -78.4 | 0 | 0 | 0 | 113.7 | E149 R295 | E149-W151 PolarHBondContact O-N 2.75Å; W151-R295 VanDerWaalsContact NE1-NH2 3.13Å | ||
| 152 | L | 44.6 | Very low | 47.1 | Very low | 46 Ų | 46 | 124.4 Ų | 124.4 | 24% | 0.241 | 61% | 0.611 | C | S | . | * | S | Bend | trans | -119.4 | 133.7 | 178.2 | -72.7 | 163.4 | 0 | 0 | 0 | 108.5 | S150 C156 R157 L160 | S150-L152 PolarHBondContact O-N 3.22Å; L152-C156 HydrophobicContact CB-CB 4.45Å; L152-C156 HydrophobicContact CD2-CB 4.09Å; L152-R157 HydrophobicContact CB-CB 4.44Å; L152-L160 HydrophobicContact CD1-CD1 3.64Å; L152-L160 HydrophobicContact CD2-CD1 4.19Å |
| 153 | C | 54.4 | Low | 47.8 | Very low | 63 Ų | 63 | 116.3 Ų | 116.3 | 43% | 0.426 | 60% | 0.6 | S | S | . | * | trans | -60.8 | 149.1 | 169.2 | 77.5 | 0 | 0 | 0 | 0 | 109.8 | N155 C156 R157 | C153-N155 PolarHBondContact O-N 2.85Å; C153-N155 VanDerWaalsContact O-N 3.11Å; C153-C156 WeakPolarHBondContact O-CB 3.44Å; C153-C156 PolarHBondContact O-N 3.47Å; C153-R157 PolarHBondContact O-N 2.79Å; C153-R157 VanDerWaalsContact O-N 3.1Å | ||
| 154 | K | 61.1 | Low | 48 | Very low | 156 Ų | 156 | 117 Ų | 117 | 68% | 0.678 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -49.9 | -44.2 | -171.4 | -171.8 | 176.9 | 176.6 | -178.3 | 0 | 112.8 | C156 R157 E158 | K154-C156 PolarHBondContact O-N 3.4Å; K154-R157 WeakPolarHBondContact O-CB 3Å; K154-R157 PolarHBondContact O-N 3.22Å; K154-R157 VanDerWaalsContact O-N 3.13Å; K154-E158 WeakPolarHBondContact CE-OE1 3.49Å; K154-E158 WeakPolarHBondContact CG-OE1 3.28Å; K154-E158 WeakPolarHBondContact O-CG 3.5Å; K154-E158 PolarHBondContact O-N 2.85Å |
| 155 | N | 60.1 | Low | 48.1 | Very low | 87 Ų | 87 | 111 Ų | 111 | 47% | 0.465 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57.8 | -42.5 | 176.3 | -63.7 | -11.8 | 0 | 0 | 0 | 112.9 | C153 E158 E159 | C153-N155 PolarHBondContact O-N 2.85Å; C153-N155 VanDerWaalsContact O-N 3.11Å; N155-E158 PolarHBondContact O-N 3.38Å; N155-E159 WeakPolarHBondContact O-CB 3.43Å; N155-E159 VanDerWaalsContact O-CG 3.28Å; N155-E159 WeakPolarHBondContact O-CG 3.48Å; N155-E159 PolarHBondContact O-N 3.04Å |
| 156 | C | 57.4 | Low | 48.3 | Very low | 25 Ų | 25 | 115.1 Ų | 115.1 | 17% | 0.169 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -71.3 | -32 | 177.3 | -69.7 | 0 | 0 | 0 | 0 | 112.9 | L152 C153 K154 E158 L160 C254 | L152-C156 HydrophobicContact CB-CB 4.45Å; L152-C156 HydrophobicContact CD2-CB 4.09Å; C153-C156 WeakPolarHBondContact O-CB 3.44Å; C153-C156 PolarHBondContact O-N 3.47Å; K154-C156 PolarHBondContact O-N 3.4Å; C156-E158 VanDerWaalsContact C-N 3.33Å; C156-L160 WeakPolarHBondContact O-CB 3.22Å; C156-L160 WeakPolarHBondContact O-CD1 3.43Å; C156-L160 WeakPolarHBondContact O-CG 3.45Å; C156-L160 PolarHBondContact O-N 2.93Å; C156-C254 PolarHBondContact SG-SG 2.7Å |
| 157 | R | 58.9 | Low | 48.3 | Very low | 156 Ų | 156 | 110.9 Ų | 110.9 | 59% | 0.589 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.3 | -39.7 | 173.1 | -163.9 | 175.6 | -178 | 170.9 | 0 | 110.6 | S150 L152 C153 K154 A161 | S150-R157 WeakPolarHBondContact OG-CD 3.49Å; S150-R157 PolarHBondContact OG-NE 3.39Å; S150-R157 PolarHBondContact OG-NH1 3.4Å; S150-R157 VanDerWaalsContact OG-NH1 3.08Å; L152-R157 HydrophobicContact CB-CB 4.44Å; C153-R157 PolarHBondContact O-N 2.79Å; C153-R157 VanDerWaalsContact O-N 3.1Å; K154-R157 WeakPolarHBondContact O-CB 3Å; K154-R157 PolarHBondContact O-N 3.22Å; K154-R157 VanDerWaalsContact O-N 3.13Å; R157-A161 WeakPolarHBondContact O-CB 3.5Å; R157-A161 PolarHBondContact O-N 2.04Å |
| 158 | E | 62.9 | Low | 48.2 | Very low | 80 Ų | 80 | 109.1 Ų | 109.1 | 37% | 0.374 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.5 | -41 | 175 | -69.9 | 175.5 | -157.3 | 0 | 0 | 113.5 | K154 N155 C156 L160 A161 K162 | K154-E158 WeakPolarHBondContact CE-OE1 3.49Å; K154-E158 WeakPolarHBondContact CG-OE1 3.28Å; K154-E158 WeakPolarHBondContact O-CG 3.5Å; K154-E158 PolarHBondContact O-N 2.85Å; N155-E158 PolarHBondContact O-N 3.38Å; C156-E158 VanDerWaalsContact C-N 3.33Å; E158-L160 VanDerWaalsContact C-N 3.35Å; E158-A161 PolarHBondContact O-N 3.26Å; E158-K162 WeakPolarHBondContact O-CD 3.27Å; E158-K162 VanDerWaalsContact O-CG 3.28Å; E158-K162 WeakPolarHBondContact O-CG 3.25Å; E158-K162 PolarHBondContact O-N 3.42Å |
| 159 | E | 59.8 | Low | 48.2 | Very low | 127 Ų | 127 | 107.2 Ų | 107.2 | 59% | 0.593 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.4 | -43.1 | 172.7 | -73.8 | -70.5 | 113.3 | 0 | 0 | 111.5 | N155 K162 G163 | N155-E159 WeakPolarHBondContact O-CB 3.43Å; N155-E159 VanDerWaalsContact O-CG 3.28Å; N155-E159 WeakPolarHBondContact O-CG 3.48Å; N155-E159 PolarHBondContact O-N 3.04Å; E159-K162 PolarHBondContact O-N 2.88Å; E159-K162 IonicContact OE1-NZ 3.75Å; E159-G163 PolarHBondContact O-N 3.16Å |
| 160 | L | 53.5 | Low | 48.1 | Very low | 50 Ų | 50 | 106.6 Ų | 106.6 | 26% | 0.262 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.9 | -40.8 | 175.2 | -78.9 | 161 | 0 | 0 | 0 | 112.3 | L152 C156 E158 K162 G163 F164 | L152-L160 HydrophobicContact CD1-CD1 3.64Å; L152-L160 HydrophobicContact CD2-CD1 4.19Å; C156-L160 WeakPolarHBondContact O-CB 3.22Å; C156-L160 WeakPolarHBondContact O-CD1 3.43Å; C156-L160 WeakPolarHBondContact O-CG 3.45Å; C156-L160 PolarHBondContact O-N 2.93Å; E158-L160 VanDerWaalsContact C-N 3.35Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 2.59Å; L160-G163 PolarHBondContact O-N 2.84Å; L160-F164 HydrophobicContact CD2-CD2 4.35Å; L160-F164 HydrophobicContact CD2-CE2 3.99Å; L160-F164 WeakPolarHBondContact O-CD2 3.28Å; L160-F164 PolarHBondContact O-N 2.89Å; L160-F164 VanDerWaalsContact O-N 3.12Å |
| 161 | A | 57.8 | Low | 48.1 | Very low | 75 Ų | 75 | 110.3 Ų | 110.3 | 62% | 0.62 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.7 | -35.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R157 E158 | R157-A161 WeakPolarHBondContact O-CB 3.5Å; R157-A161 PolarHBondContact O-N 2.04Å; E158-A161 PolarHBondContact O-N 3.26Å |
| 162 | K | 59.6 | Low | 47.3 | Very low | 139 Ų | 139 | 111.2 Ų | 111.2 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.8 | -43.8 | 173.6 | -66.6 | 162.5 | -166.3 | 167.5 | 0 | 111.9 | E158 E159 L160 F164 G165 | E158-K162 WeakPolarHBondContact O-CD 3.27Å; E158-K162 VanDerWaalsContact O-CG 3.28Å; E158-K162 WeakPolarHBondContact O-CG 3.25Å; E158-K162 PolarHBondContact O-N 3.42Å; E159-K162 PolarHBondContact O-N 2.88Å; E159-K162 IonicContact OE1-NZ 3.75Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 2.59Å; K162-F164 VanDerWaalsContact C-N 3.3Å; K162-F164 PolarHBondContact O-N 3.11Å; K162-G165 PolarHBondContact O-N 2.71Å |
| 163 | G | 45.7 | Very low | 47.1 | Very low | 67 Ų | 67 | 114.4 Ų | 114.4 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.9 | -13.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116 | E159 L160 | E159-G163 PolarHBondContact O-N 3.16Å; L160-G163 PolarHBondContact O-N 2.84Å |
| 164 | F | 40.8 | Very low | 46.4 | Very low | 172 Ų | 172 | 117.7 Ų | 117.7 | 75% | 0.754 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 8.9 | 175.5 | -87.8 | -94.9 | 0 | 0 | 0 | 113.9 | L160 K162 | L160-F164 HydrophobicContact CD2-CD2 4.35Å; L160-F164 HydrophobicContact CD2-CE2 3.99Å; L160-F164 WeakPolarHBondContact O-CD2 3.28Å; L160-F164 PolarHBondContact O-N 2.89Å; L160-F164 VanDerWaalsContact O-N 3.12Å; K162-F164 VanDerWaalsContact C-N 3.3Å; K162-F164 PolarHBondContact O-N 3.11Å |
| 165 | G | 32.3 | Very low | 45.7 | Very low | 53 Ų | 53 | 116.3 Ų | 116.3 | 55% | 0.546 | 68% | 0.676 | S | S | . | * | trans | -84.2 | 126 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K162 | K162-G165 PolarHBondContact O-N 2.71Š| ||
| 166 | K | 37.1 | Very low | 44.7 | Very low | 215 Ų | 215 | 119 Ų | 119 | 94% | 0.935 | 69% | 0.691 | S | S | * | * | trans | 64.7 | 87.4 | 164.3 | -58.4 | -176.2 | 178.5 | -176.7 | 0 | 117.2 | ||||
| 167 | A | 30.8 | Very low | 44.2 | Very low | 99 Ų | 99 | 125 Ų | 125 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | -133.7 | 132.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 168 | S | 31.5 | Very low | 43.4 | Very low | 125 Ų | 125 | 125 Ų | 125 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 60.2 | 75.3 | 163.1 | -171.7 | 0 | 0 | 0 | 0 | 119.4 | ||
| 169 | S | 34.6 | Very low | 42.7 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | -160.2 | 96 | 141 | 60.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 170 | D | 37.7 | Very low | 41.9 | Very low | 167 Ų | 167 | 128.2 Ų | 128.2 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | 174.9 | 116.9 | 144.1 | -92.4 | -21.7 | 0 | 0 | 0 | 110.2 | ||||
| 171 | S | 37.5 | Very low | 41.4 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -87 | 115.2 | -176.8 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 172 | K | 35.9 | Very low | 41 | Very low | 207 Ų | 207 | 133 Ų | 133 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | trans | -82.3 | 115.6 | 169.8 | -78 | -173.1 | 174.2 | -175.9 | 0 | 111.5 | ||||
| 173 | S | 39.4 | Very low | 40.5 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -89.6 | 131.8 | 154.4 | -63.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 174 | P | 39.5 | Very low | 40.6 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -90.6 | 133.4 | 177.1 | 33.6 | -31.5 | 0 | 0 | 0 | 111.9 | ||||
| 175 | S | 47.7 | Very low | 40.8 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -132 | 144.1 | 154.3 | 56.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 176 | N | 38.6 | Very low | 41.3 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -122.3 | 128.9 | -167.3 | 175.5 | 52.4 | 0 | 0 | 0 | 108.8 | ||||
| 177 | D | 47.5 | Very low | 42 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | -154 | 166 | 159.3 | -133.5 | -35 | 0 | 0 | 0 | 113.2 | ||||
| 178 | Q | 42.1 | Very low | 42.7 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | -107.3 | 151.8 | -153.2 | -52.6 | 175.5 | 4.4 | 0 | 0 | 114.3 | ||||
| 179 | S | 46.6 | Very low | 43.2 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | 148.2 | 127.7 | 108.5 | 61.3 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 180 | N | 43.3 | Very low | 43.6 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | trans | 49.1 | 134.1 | 135 | -55.6 | -12.7 | 0 | 0 | 0 | 125.1 | ||||
| 181 | G | 43.3 | Very low | 43.9 | Very low | 65 Ų | 65 | 147 Ų | 147 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | 142.4 | 106 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 182 | L | 49.9 | Very low | 44.1 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | 62.4 | 134.6 | 75.5 | -59.5 | 164.7 | 0 | 0 | 0 | 112.9 | |||||
| 183 | E | 49.1 | Very low | 45.1 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | cis | -168.8 | 173.5 | -6.2 | -120.7 | -179.5 | 133.3 | 0 | 0 | 107.4 | ||||
| 184 | E | 47 | Very low | 45.4 | Very low | 145 Ų | 145 | 147 Ų | 147 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | cis | -154.6 | 153.5 | -4.5 | -176.6 | -89.1 | 167.8 | 0 | 0 | 108 | ||||
| 185 | P | 46.1 | Very low | 45.6 | Very low | 91 Ų | 91 | 143.6 Ų | 143.6 | 59% | 0.591 | 77% | 0.769 | S | S | * | * | trans | -121.2 | 160.9 | -170.7 | 42.7 | -32.8 | 0 | 0 | 0 | 118.8 | ||||
| 186 | K | 42.4 | Very low | 45.7 | Very low | 199 Ų | 199 | 145 Ų | 145 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | trans | 71.1 | 128.5 | 161.4 | -62.4 | 171.4 | 177.8 | 173.3 | 0 | 119.8 | ||||
| 187 | K | 50.6 | Low | 46.3 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -141.2 | 127.4 | 149.6 | -74 | -176.3 | -178.4 | 159.1 | 0 | 114.1 | ||||
| 188 | K | 47.3 | Very low | 46.3 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 36.3 | 132.3 | 133.3 | -53.2 | -180 | -176.9 | -175.8 | 0 | 119.6 | ||||
| 189 | S | 41.5 | Very low | 46.9 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | cis | 99.2 | 134.2 | 20.6 | 79.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 190 | H | 43.5 | Very low | 47 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 90 | 128.5 | 151.1 | -88.2 | -57.5 | 0 | 0 | 0 | 124 | ||||
| 191 | K | 43.1 | Very low | 47.3 | Very low | 192 Ų | 192 | 144.3 Ų | 144.3 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | 106.6 | 110.9 | 132.1 | -81.1 | 173.5 | -179.1 | -173 | 0 | 122.4 | ||||
| 192 | N | 42.6 | Very low | 47.6 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -52.7 | 163.9 | 145 | -92.7 | 12.3 | 0 | 0 | 0 | 112.9 | ||||
| 193 | P | 55.6 | Low | 47.2 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | -161.3 | 177.6 | 73.3 | 44.4 | -22.7 | 0 | 0 | 0 | 120.9 | |||||
| 194 | H | 47 | Very low | 47.4 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | trans | 63.7 | 148.8 | 163 | -61.7 | -67.1 | 0 | 0 | 0 | 119.6 | ||||
| 195 | G | 43.3 | Very low | 47.4 | Very low | 62 Ų | 62 | 142 Ų | 142 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | cis | 163.1 | 161.9 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 196 | L | 49.1 | Very low | 47.8 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | 62.9 | 153.7 | 156.5 | -58.9 | 176.9 | 0 | 0 | 0 | 118.4 | ||||
| 197 | D | 51.6 | Low | 48.3 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | cis | -138 | 175.4 | 12.2 | -95 | -54.5 | 0 | 0 | 0 | 113.3 | ||||
| 198 | E | 47.9 | Very low | 49.1 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -94.6 | -159.5 | 178.3 | -120.4 | -171.1 | 143.9 | 0 | 0 | 111.9 | ||||
| 199 | P | 53.8 | Low | 49.9 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | cis | -143.3 | -178 | 9.9 | 42.1 | -21.1 | 0 | 0 | 0 | 118.6 | ||||
| 200 | N | 49 | Very low | 50.9 | Low | 124 Ų | 124 | 142.6 Ų | 142.6 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | trans | 71 | 151.1 | 141.2 | -92 | 31 | 0 | 0 | 0 | 121.1 | ||||
| 201 | E | 48.8 | Very low | 51.9 | Low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | cis | -163.8 | 179.3 | -0.8 | -151.2 | 168.7 | -179.1 | 0 | 0 | 113.4 | ||||
| 202 | V | 50.2 | Low | 53 | Low | 133 Ų | 133 | 137.7 Ų | 137.7 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | 76.8 | 97.5 | 161.3 | -163.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 203 | G | 42 | Very low | 54.1 | Low | 81 Ų | 81 | 139.8 Ų | 139.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | 94.4 | 124.5 | 105.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 204 | G | 54 | Low | 54.4 | Low | 82 Ų | 82 | 144.1 Ų | 144.1 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | 164.8 | 97.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 205 | Q | 45.6 | Very low | 55.6 | Low | 198 Ų | 198 | 142.8 Ų | 142.8 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -99.5 | 128.5 | 175.9 | -71.6 | -175.2 | -3.6 | 0 | 0 | 112.3 | ||||
| 206 | I | 54.9 | Low | 57.2 | Low | 173 Ų | 173 | 145 Ų | 145 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -135.9 | 141.6 | 158.3 | -59 | -177.4 | 0 | 0 | 0 | 107.9 | ||||
| 207 | R | 53.1 | Low | 58.6 | Low | 247 Ų | 247 | 143 Ų | 143 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 140.2 | -175.6 | -69.2 | 176.5 | 170.4 | -179.8 | -5 | 112.4 | ||
| 208 | S | 66.6 | Low | 59.8 | Low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 150.8 | 164.6 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 209 | P | 64.1 | Low | 61.1 | Low | 116 Ų | 116 | 138.6 Ų | 138.6 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 160.4 | 168.5 | 33.3 | -35 | 0 | 0 | 0 | 111.9 | ||
| 210 | P | 62.6 | Low | 61.8 | Low | 128 Ų | 128 | 138.9 Ų | 138.9 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 142.1 | -176.9 | 32 | -35.1 | 0 | 0 | 0 | 113.5 | ||
| 211 | T | 66 | Low | 62.5 | Low | 135 Ų | 135 | 138.3 Ų | 138.3 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 143.5 | 167 | 9.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 212 | P | 64.8 | Low | 62.8 | Low | 119 Ų | 119 | 138.1 Ų | 138.1 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 168.5 | 171.6 | 32.5 | -35 | 0 | 0 | 0 | 112.6 | ||
| 213 | E | 67 | Low | 62.6 | Low | 197 Ų | 197 | 141 Ų | 141 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 140.6 | -162.1 | -65.8 | 157.7 | 106.5 | 0 | 0 | 116.3 | ||
| 214 | E | 61.9 | Low | 62.9 | Low | 192 Ų | 192 | 144.9 Ų | 144.9 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 124.7 | 173.5 | -168.3 | 176 | 157.5 | 0 | 0 | 109.9 | ||
| 215 | L | 71.3 | Confident | 62.5 | Low | 156 Ų | 156 | 149.7 Ų | 149.7 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 144.5 | -179.6 | -79.1 | 165.8 | 0 | 0 | 0 | 111.7 | ||
| 216 | P | 77.2 | Confident | 62.4 | Low | 109 Ų | 109 | 147.4 Ų | 147.4 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 146.1 | 178.5 | 28.5 | -35 | 0 | 0 | 0 | 111.7 | ||
| 217 | P | 78.5 | Confident | 61.7 | Low | 113 Ų | 113 | 146.2 Ų | 146.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 149.8 | 179.8 | 28.8 | -35.4 | 0 | 0 | 0 | 112 | ||
| 218 | P | 77.6 | Confident | 61 | Low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66 | 149 | 174.3 | 29.2 | -35.1 | 0 | 0 | 0 | 111.3 | ||
| 219 | P | 73.9 | Confident | 59.6 | Low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 148.4 | 177.5 | 28.5 | -35 | 0 | 0 | 0 | 111.5 | ||
| 220 | P | 68.4 | Low | 58 | Low | 106 Ų | 106 | 139.3 Ų | 139.3 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 148.4 | 176.4 | 29.3 | -35.2 | 0 | 0 | 0 | 111.1 | L222 | P220-L222 PolarHBondContact O-N 3.35Š|
| 221 | P | 63.7 | Low | 56.7 | Low | 112 Ų | 112 | 141.8 Ų | 141.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 119.4 | 174 | 27.5 | -33.2 | 0 | 0 | 0 | 109.9 | F223 | P221-F223 PolarHBondContact O-N 3.14Å; P221-F223 VanDerWaalsContact O-N 3.09Å |
| 222 | L | 56.3 | Low | 55.2 | Low | 159 Ų | 159 | 144 Ų | 144 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -69.3 | 103.7 | 171.6 | -73.5 | 169.6 | 0 | 0 | 0 | 109.2 | P220 M224 | P220-L222 PolarHBondContact O-N 3.35Å; L222-M224 PolarHBondContact O-N 3.36Å | ||
| 223 | F | 45.4 | Very low | 53.5 | Low | 194 Ų | 194 | 148.2 Ų | 148.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -67.1 | 120.7 | 151.6 | -76.8 | -96 | 0 | 0 | 0 | 107.5 | P221 | P221-F223 PolarHBondContact O-N 3.14Å; P221-F223 VanDerWaalsContact O-N 3.09Å | ||
| 224 | M | 49.2 | Very low | 52 | Low | 162 Ų | 162 | 144.7 Ų | 144.7 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -124.2 | 147 | 155 | -72.1 | -158.9 | 68.9 | 0 | 0 | 108 | L222 | L222-M224 PolarHBondContact O-N 3.36Š| ||
| 225 | E | 43.8 | Very low | 50.4 | Low | 182 Ų | 182 | 140.8 Ų | 140.8 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -89.5 | -150.7 | -171.2 | -65.9 | 161.9 | 103.2 | 0 | 0 | 110.5 | ||||
| 226 | D | 44.5 | Very low | 48.6 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | 80.7 | 86.3 | -178.2 | -51.8 | -22.1 | 0 | 0 | 0 | 113.9 | ||||
| 227 | D | 39.5 | Very low | 46.7 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | 82.2 | 99.2 | 66.8 | -169.5 | 20.8 | 0 | 0 | 0 | 113.1 | |||||
| 228 | V | 39.8 | Very low | 44.6 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -137.2 | 105.8 | 165.9 | -178.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 229 | G | 36.6 | Very low | 42.6 | Very low | 51 Ų | 51 | 143.8 Ų | 143.8 | 53% | 0.526 | 81% | 0.808 | S | S | . | * | trans | -72.7 | 176.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 230 | P | 29.9 | Very low | 40.8 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 131 | -178.9 | 30.7 | -34.4 | 0 | 0 | 0 | 111.4 | ||
| 231 | L | 35.2 | Very low | 39.5 | Very low | 179 Ų | 179 | 147.2 Ų | 147.2 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -95 | 130.9 | 175 | -122.3 | 161.9 | 0 | 0 | 0 | 110.5 | ||
| 232 | E | 35.7 | Very low | 38.3 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 160.7 | -163.7 | -59.7 | -177.1 | 115.4 | 0 | 0 | 114.5 | ||
| 233 | F | 28.5 | Very low | 37.4 | Very low | 207 Ų | 207 | 143.4 Ų | 143.4 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 136.7 | 173.1 | -80.2 | -102.6 | 0 | 0 | 0 | 111.6 | ||
| 234 | S | 34.9 | Very low | 37.1 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -125.5 | 100.4 | 159.3 | -158.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 235 | T | 29.6 | Very low | 36.4 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 68% | 0.681 | 81% | 0.812 | S | S | * | * | trans | -86.9 | 125.7 | 174.7 | 50.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 236 | N | 33 | Very low | 36 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -171.7 | 100.4 | 154.6 | -100 | -28.8 | 0 | 0 | 0 | 112.8 | ||||
| 237 | S | 36.3 | Very low | 35.6 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 170.5 | 122.5 | 138.6 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 238 | S | 34.7 | Very low | 35.1 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -59.1 | 141.2 | 171.3 | -46.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 239 | D | 36.8 | Very low | 34.9 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | -167.4 | 162.8 | 101.7 | -98.8 | -21 | 0 | 0 | 0 | 114.2 | E241 | D239-E241 PolarHBondContact O-N 2.86Š| |||
| 240 | S | 34.5 | Very low | 34.7 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -50.5 | 119.1 | -175.6 | 167.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 241 | E | 42.1 | Very low | 35.1 | Very low | 186 Ų | 186 | 135.5 Ų | 135.5 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | -166.6 | 154 | 112.2 | -103.8 | 179.5 | 166.4 | 0 | 0 | 111.2 | D239 | D239-E241 PolarHBondContact O-N 2.86Š| |||
| 242 | G | 37.5 | Very low | 35.1 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 143.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 243 | P | 38.8 | Very low | 35.2 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 144.2 | -179.7 | 29.7 | -35.2 | 0 | 0 | 0 | 111.9 | ||
| 244 | P | 38.2 | Very low | 36.3 | Very low | 110 Ų | 110 | 124 Ų | 124 | 71% | 0.714 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 142.6 | 174.4 | 30.5 | -34.6 | 0 | 0 | 0 | 111.5 | L246 | P244-L246 PolarHBondContact O-N 3.3Å; P244-L246 VanDerWaalsContact O-N 3.14Å |
| 245 | D | 35.4 | Very low | 37 | Very low | 166 Ų | 166 | 121.6 Ų | 121.6 | 89% | 0.888 | 70% | 0.696 | S | S | * | * | trans | -61.2 | 111.2 | 177.8 | -126 | -25.6 | 0 | 0 | 0 | 111.1 | E247 | D245-E247 PolarHBondContact O-N 2.99Š| ||
| 246 | L | 34 | Very low | 37.9 | Very low | 163 Ų | 163 | 124.9 Ų | 124.9 | 85% | 0.853 | 70% | 0.701 | S | S | * | * | trans | -89.3 | 79.2 | -180 | -81.7 | 167.1 | 0 | 0 | 0 | 110.7 | P244 A248 | P244-L246 PolarHBondContact O-N 3.3Å; P244-L246 VanDerWaalsContact O-N 3.14Å; L246-A248 PolarHBondContact O-N 2.92Å | ||
| 247 | E | 35.7 | Very low | 39.3 | Very low | 139 Ų | 139 | 119.5 Ų | 119.5 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | trans | -61.3 | 97.4 | 166.8 | -80.5 | -162.6 | 119.8 | 0 | 0 | 110.6 | D245 E249 T265 | D245-E247 PolarHBondContact O-N 2.99Å; E247-E249 PolarHBondContact O-N 3.37Å; E247-E249 VanDerWaalsContact O-N 3.08Å; E247-T265 WeakPolarHBondContact OE1-CB 3.25Å; E247-T265 VanDerWaalsContact OE1-CG2 3.3Å; E247-T265 WeakPolarHBondContact OE1-CG2 3.42Å; E247-T265 PolarHBondContact OE1-OG1 3.33Å | ||
| 248 | A | 30.8 | Very low | 39.9 | Very low | 85 Ų | 85 | 115.6 Ų | 115.6 | 70% | 0.702 | 66% | 0.655 | S | S | * | * | trans | -67.7 | 104.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | L246 V250 | L246-A248 PolarHBondContact O-N 2.92Å; A248-V250 VanDerWaalsContact C-N 3.32Å; A248-V250 PolarHBondContact O-N 2.88Å | ||
| 249 | E | 35.4 | Very low | 40.2 | Very low | 87 Ų | 87 | 114.1 Ų | 114.1 | 41% | 0.407 | 64% | 0.641 | S | S | . | * | trans | -70.3 | 82.6 | 177.3 | -169.4 | -171.2 | -139.7 | 0 | 0 | 111.2 | E247 R251 R262 | E247-E249 PolarHBondContact O-N 3.37Å; E247-E249 VanDerWaalsContact O-N 3.08Å; E249-R251 HydrophobicContact CG-CG 4.27Å; E249-R251 PolarHBondContact O-N 2.78Å; E249-R251 IonicContact OE2-CZ 2.68Å; E249-R251 IonicContact OE2-NE 3.94Å; E249-R251 PolarHBondContact OE2-NE 3.13Å; E249-R251 IonicContact OE2-NH2 3.56Å; E249-R251 PolarHBondContact OE2-NH2 3.1Å; E249-R262 IonicContact OE1-CZ 3.16Å; E249-R262 IonicContact OE1-NE 2.71Å; E249-R262 PolarHBondContact OE1-NE 2.96Å; E249-R262 IonicContact OE1-NH2 2.7Å; E249-R262 PolarHBondContact OE1-NH2 3.33Å | ||
| 250 | V | 31.1 | Very low | 40.2 | Very low | 87 Ų | 87 | 111.7 Ų | 111.7 | 53% | 0.527 | 63% | 0.627 | S | S | . | * | trans | -69.1 | 99.3 | 176.8 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | A248 Y252 | A248-V250 VanDerWaalsContact C-N 3.32Å; A248-V250 PolarHBondContact O-N 2.88Å; V250-Y252 HydrophobicContact CB-CE2 4.39Å; V250-Y252 HydrophobicContact CG1-CD2 4.07Å; V250-Y252 HydrophobicContact CG1-CE2 3.49Å; V250-Y252 VanDerWaalsContact CG1-CE2 3.49Å | ||
| 251 | R | 38.4 | Very low | 40.6 | Very low | 163 Ų | 163 | 111.7 Ų | 111.7 | 62% | 0.615 | 61% | 0.611 | S | S | * | * | trans | -84.7 | 121.4 | 175.2 | -61.8 | 179 | -174 | 174.1 | 4.7 | 110.2 | E249 L260 | E249-R251 HydrophobicContact CG-CG 4.27Å; E249-R251 PolarHBondContact O-N 2.78Å; E249-R251 IonicContact OE2-CZ 2.68Å; E249-R251 IonicContact OE2-NE 3.94Å; E249-R251 PolarHBondContact OE2-NE 3.13Å; E249-R251 IonicContact OE2-NH2 3.56Å; E249-R251 PolarHBondContact OE2-NH2 3.1Å; R251-L260 HydrophobicContact CB-CD2 4.06Å | ||
| 252 | Y | 35.4 | Very low | 40.3 | Very low | 145 Ų | 145 | 112.2 Ų | 112.2 | 57% | 0.569 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96 | 131.4 | 171.5 | -76.3 | -91.2 | 0 | 0 | 0 | 110.7 | V250 R261 | V250-Y252 HydrophobicContact CB-CE2 4.39Å; V250-Y252 HydrophobicContact CG1-CD2 4.07Å; V250-Y252 HydrophobicContact CG1-CE2 3.49Å; V250-Y252 VanDerWaalsContact CG1-CE2 3.49Å; Y252-R261 PolarHBondContact O-N 3.37Å; Y252-R261 VanDerWaalsContact O-N 3.14Å |
| 253 | Y | 39 | Very low | 40.1 | Very low | 158 Ų | 158 | 118 Ų | 118 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.1 | -179.7 | -172.5 | -101.5 | 0 | 0 | 0 | 111.6 | G255 L260 | Y253-G255 PolarHBondContact O-N 2.77Å; Y253-G255 VanDerWaalsContact O-N 3.16Å; Y253-L260 HydrophobicContact CD2-CG 4.27Å |
| 254 | C | 51.6 | Low | 39.7 | Very low | 23 Ų | 23 | 117.6 Ų | 117.6 | 16% | 0.155 | 60% | 0.603 | C | S | . | * | trans | -78.8 | 92.6 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | C156 K256 C257 G258 V259 | C156-C254 PolarHBondContact SG-SG 2.7Å; C254-K256 PolarHBondContact O-N 2.97Å; C254-C257 HydrophobicContact CB-CB 4.25Å; C254-C257 WeakPolarHBondContact CB-SG 3.37Å; C254-C257 PolarHBondContact O-N 2.86Å; C254-C257 WeakPolarHBondContact SG-CB 3.36Å; C254-C257 PolarHBondContact SG-N 3.5Å; C254-C257 CovalentContact SG-SG 2.04Å; C254-C257 PolarHBondContact SG-SG 2.9Å; C254-G258 PolarHBondContact O-N 3.11Å; C254-V259 HydrophobicContact CB-CB 4.36Å; C254-V259 WeakPolarHBondContact CB-O 3.48Å; C254-V259 PolarHBondContact N-O 3Å | ||
| 255 | G | 49 | Very low | 39.6 | Very low | 73 Ų | 73 | 117 Ų | 117 | 75% | 0.753 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y253 | Y253-G255 PolarHBondContact O-N 2.77Å; Y253-G255 VanDerWaalsContact O-N 3.16Å |
| 256 | K | 49.1 | Very low | 39.5 | Very low | 181 Ų | 181 | 120.7 Ų | 120.7 | 79% | 0.787 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | -2.9 | 173.4 | -68.1 | -177.2 | 178.2 | 176.1 | 0 | 114.3 | C254 | C254-K256 PolarHBondContact O-N 2.97Š|
| 257 | C | 61.6 | Low | 39.5 | Very low | 51 Ų | 51 | 124 Ų | 124 | 35% | 0.345 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -154 | 2.1 | -172.1 | 74.4 | 0 | 0 | 0 | 0 | 116.4 | C254 V259 | C254-C257 HydrophobicContact CB-CB 4.25Å; C254-C257 WeakPolarHBondContact CB-SG 3.37Å; C254-C257 PolarHBondContact O-N 2.86Å; C254-C257 WeakPolarHBondContact SG-CB 3.36Å; C254-C257 PolarHBondContact SG-N 3.5Å; C254-C257 CovalentContact SG-SG 2.04Å; C254-C257 PolarHBondContact SG-SG 2.9Å; C257-V259 PolarHBondContact O-N 3.34Å |
| 258 | G | 48.3 | Very low | 39.4 | Very low | 39 Ų | 39 | 122.9 Ų | 122.9 | 40% | 0.402 | 61% | 0.607 | S | S | . | * | trans | 69.6 | -14.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | C254 L260 | C254-G258 PolarHBondContact O-N 3.11Å; G258-L260 PolarHBondContact O-N 2.79Å | ||
| 259 | V | 41 | Very low | 39.5 | Very low | 77 Ų | 77 | 127 Ų | 127 | 47% | 0.467 | 61% | 0.612 | S | S | . | * | trans | -63.1 | 110.3 | -176.3 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | C254 C257 | C254-V259 HydrophobicContact CB-CB 4.36Å; C254-V259 WeakPolarHBondContact CB-O 3.48Å; C254-V259 PolarHBondContact N-O 3Å; C257-V259 PolarHBondContact O-N 3.34Å | ||
| 260 | L | 37.3 | Very low | 39.5 | Very low | 111 Ų | 111 | 128 Ų | 128 | 58% | 0.581 | 63% | 0.628 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.5 | 125.3 | 165.5 | -92.1 | 158.7 | 0 | 0 | 0 | 110.1 | R251 Y253 G258 | R251-L260 HydrophobicContact CB-CD2 4.06Å; Y253-L260 HydrophobicContact CD2-CG 4.27Å; G258-L260 PolarHBondContact O-N 2.79Å |
| 261 | R | 43.6 | Very low | 39.5 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 42% | 0.415 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.4 | 169.9 | -83.9 | -173.7 | 158.5 | -147.5 | -7.7 | 111.3 | Y252 | Y252-R261 PolarHBondContact O-N 3.37Å; Y252-R261 VanDerWaalsContact O-N 3.14Å |
| 262 | R | 34.7 | Very low | 39.4 | Very low | 197 Ų | 197 | 130.8 Ų | 130.8 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -76 | 132.6 | 153.9 | -83.4 | -177.2 | 154.6 | 164.6 | -5.1 | 109.1 | E249 | E249-R262 IonicContact OE1-CZ 3.16Å; E249-R262 IonicContact OE1-NE 2.71Å; E249-R262 PolarHBondContact OE1-NE 2.96Å; E249-R262 IonicContact OE1-NH2 2.7Å; E249-R262 PolarHBondContact OE1-NH2 3.33Å |
| 263 | R | 34.2 | Very low | 39.2 | Very low | 188 Ų | 188 | 128.7 Ų | 128.7 | 71% | 0.709 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 126.2 | 168.1 | -163.8 | -178.8 | -162.7 | 175.8 | 6.4 | 107.5 | T265 | R263-T265 PolarHBondContact O-N 2.99Š|
| 264 | P | 30.9 | Very low | 39.1 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 75% | 0.753 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 128.9 | 167 | -16.8 | 30.3 | 0 | 0 | 0 | 108.6 | R266 | P264-R266 PolarHBondContact O-N 2.88Š|
| 265 | T | 34.6 | Very low | 38.2 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 60% | 0.595 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 121.1 | 165.8 | 22.5 | 0 | 0 | 0 | 0 | 108.3 | E247 R263 R267 | E247-T265 WeakPolarHBondContact OE1-CB 3.25Å; E247-T265 VanDerWaalsContact OE1-CG2 3.3Å; E247-T265 WeakPolarHBondContact OE1-CG2 3.42Å; E247-T265 PolarHBondContact OE1-OG1 3.33Å; R263-T265 PolarHBondContact O-N 2.99Å; T265-R267 PolarHBondContact O-N 3.39Å; T265-R267 VanDerWaalsContact O-N 3.11Å |
| 266 | R | 33.9 | Very low | 37.6 | Very low | 245 Ų | 245 | 134.3 Ų | 134.3 | 93% | 0.925 | 68% | 0.682 | S | S | * | * | trans | -68.5 | 108.3 | 172.4 | -109.3 | -173.9 | 173.1 | -176 | -2.8 | 107.1 | P264 S268 | P264-R266 PolarHBondContact O-N 2.88Å; R266-S268 PolarHBondContact O-N 3.01Å; R266-S268 VanDerWaalsContact O-N 3.16Å | ||
| 267 | R | 33.6 | Very low | 37.1 | Very low | 233 Ų | 233 | 133 Ų | 133 | 88% | 0.879 | 68% | 0.684 | S | S | * | * | trans | -58.8 | 118.4 | 158.9 | -92.1 | -172.8 | 166.2 | -163.6 | -6.2 | 107.9 | T265 E269 | T265-R267 PolarHBondContact O-N 3.39Å; T265-R267 VanDerWaalsContact O-N 3.11Å; R267-E269 PolarHBondContact O-N 3.18Å | ||
| 268 | S | 35 | Very low | 36 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 70% | 0.704 | S | S | * | * | trans | -75.6 | 98.3 | 163.5 | 49.1 | 0 | 0 | 0 | 0 | 107.9 | R266 S270 | R266-S268 PolarHBondContact O-N 3.01Å; R266-S268 VanDerWaalsContact O-N 3.16Å; S268-S270 PolarHBondContact O-N 2.85Å; S268-S270 VanDerWaalsContact O-N 3.1Å | ||
| 269 | E | 32.6 | Very low | 35.7 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | trans | -69.3 | 105.3 | 170.2 | -67.7 | -175.2 | 150.8 | 0 | 0 | 108.7 | R267 V271 | R267-E269 PolarHBondContact O-N 3.18Å; E269-V271 PolarHBondContact O-N 3.5Å; E269-V271 VanDerWaalsContact O-N 3.09Å | ||
| 270 | S | 35.1 | Very low | 35.9 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | trans | -71.3 | 100 | 175.6 | 53.8 | 0 | 0 | 0 | 0 | 109.4 | S268 H272 | S268-S270 PolarHBondContact O-N 2.85Å; S268-S270 VanDerWaalsContact O-N 3.1Å; S270-H272 PolarHBondContact O-N 3.28Å; S270-H272 VanDerWaalsContact O-N 3.09Å | ||
| 271 | V | 30 | Very low | 36 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | trans | -65.2 | 107.6 | 176.2 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | E269 T273 | E269-V271 PolarHBondContact O-N 3.5Å; E269-V271 VanDerWaalsContact O-N 3.09Å; V271-T273 HydrophobicContact CG1-CG2 4.23Å | ||
| 272 | H | 38.2 | Very low | 35.9 | Very low | 187 Ų | 187 | 145.9 Ų | 145.9 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | -130.7 | 129.1 | 155.4 | -88.6 | -58.9 | 0 | 0 | 0 | 109.3 | S270 | S270-H272 PolarHBondContact O-N 3.28Å; S270-H272 VanDerWaalsContact O-N 3.09Å | ||
| 273 | T | 31 | Very low | 36.3 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | trans | -106 | 172.2 | -175.3 | 58.4 | 0 | 0 | 0 | 0 | 111.2 | V271 | V271-T273 HydrophobicContact CG1-CG2 4.23Š| ||
| 274 | N | 35.3 | Very low | 36.9 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | 82.3 | 142.4 | 170.6 | -43.7 | -3.3 | 0 | 0 | 0 | 115.3 | ||||
| 275 | S | 33.4 | Very low | 37.3 | Very low | 89 Ų | 89 | 139.4 Ų | 139.4 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | cis | -163.9 | 171.9 | -26.3 | 56.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 276 | D | 37.4 | Very low | 37.2 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 57.1 | 93.3 | 153.8 | -45.7 | -44.5 | 0 | 0 | 0 | 120.1 | ||||
| 277 | N | 38 | Very low | 37 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | 176.7 | 141.1 | 100.8 | -97.2 | -75.5 | 0 | 0 | 0 | 113.3 | |||||
| 278 | P | 38.1 | Very low | 36.7 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -111.2 | 120.1 | 178.8 | 36.6 | -27.1 | 0 | 0 | 0 | 114.4 | ||||
| 279 | V | 41.1 | Very low | 36.3 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -137.7 | 104.1 | 170.5 | -175.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 280 | K | 45.3 | Very low | 36 | Very low | 181 Ų | 181 | 130.6 Ų | 130.6 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | trans | 43.2 | 109.5 | 146.7 | -65.8 | -178.8 | 176.5 | 178.1 | 0 | 121.1 | ||||
| 281 | N | 40 | Very low | 35.6 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | 56.1 | 79.9 | 118.6 | -55 | 11.1 | 0 | 0 | 0 | 118.7 | |||||
| 282 | G | 41.9 | Very low | 35.3 | Very low | 61 Ų | 61 | 134.4 Ų | 134.4 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | -131.3 | 146.8 | 145.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 283 | P | 42.7 | Very low | 34.7 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 128.9 | 175.5 | 27.8 | -32.9 | 0 | 0 | 0 | 109.8 | ||
| 284 | P | 46.2 | Very low | 34.4 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 144.8 | 177 | 28.5 | -34 | 0 | 0 | 0 | 110.6 | ||
| 285 | P | 39.2 | Very low | 33.9 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 152.7 | -176.8 | 29.8 | -35.5 | 0 | 0 | 0 | 112.7 | G287 | P285-G287 PolarHBondContact O-N 3.47Å; P285-G287 VanDerWaalsContact O-N 3.17Å |
| 286 | N | 33.6 | Very low | 33.5 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 95% | 0.947 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -51.3 | 116.2 | 175.3 | -66.4 | -24.8 | 0 | 0 | 0 | 111.6 | ||
| 287 | G | 28.5 | Very low | 32.9 | Very low | 75 Ų | 75 | 145.8 Ų | 145.8 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 177.7 | 36.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | P285 | P285-G287 PolarHBondContact O-N 3.47Å; P285-G287 VanDerWaalsContact O-N 3.17Å | ||
| 288 | S | 27.5 | Very low | 32.4 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -128 | 84.1 | 178.3 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | S290 | S288-S290 PolarHBondContact O-N 2.98Š| ||
| 289 | F | 27.3 | Very low | 31.9 | Very low | 208 Ų | 208 | 148.6 Ų | 148.6 | 91% | 0.912 | 78% | 0.78 | S | S | * | * | trans | -67.9 | 98.1 | 165.2 | -87 | -86.8 | 0 | 0 | 0 | 110.4 | K291 | F289-K291 PolarHBondContact O-N 2.77Š| ||
| 290 | S | 27 | Very low | 31.3 | Very low | 103 Ų | 103 | 148 Ų | 148 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | -64.6 | 111 | 168.4 | 32.5 | 0 | 0 | 0 | 0 | 110 | S288 L292 | S288-S290 PolarHBondContact O-N 2.98Å; S290-L292 PolarHBondContact O-N 3.01Å | ||
| 291 | K | 25.5 | Very low | 30.5 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | -69.7 | 89.5 | 177.2 | -75 | -175.1 | 175.4 | -179.5 | 0 | 111.2 | F289 Y293 | F289-K291 PolarHBondContact O-N 2.77Å; K291-Y293 PolarHBondContact O-N 3.34Å | ||
| 292 | L | 24.2 | Very low | 30 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 63% | 0.628 | 76% | 0.759 | S | S | * | * | trans | -65.4 | 110.1 | 169.9 | -86.2 | 158.1 | 0 | 0 | 0 | 110.8 | S290 Y294 | S290-L292 PolarHBondContact O-N 3.01Å; L292-Y294 HydrophobicContact CB-CD2 3.96Å; L292-Y294 HydrophobicContact CB-CE2 3.59Å; L292-Y294 HydrophobicContact CD1-CE2 4Å; L292-Y294 HydrophobicContact CD2-CE2 4.37Å; L292-Y294 HydrophobicContact CG-CE2 4.19Å; L292-Y294 PolarHBondContact O-N 3.17Å; L292-Y294 VanDerWaalsContact O-N 3.14Å | ||
| 293 | Y | 25.1 | Very low | 29.4 | Very low | 221 Ų | 221 | 147 Ų | 147 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | -80.3 | 83.9 | 172.5 | -93.9 | -91.2 | 0 | 0 | 0 | 110.5 | K291 R295 | K291-Y293 PolarHBondContact O-N 3.34Å; Y293-R295 PolarHBondContact O-N 3.12Å | ||
| 294 | Y | 26 | Very low | 28.9 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | -72.9 | 110.4 | 173.4 | -76.3 | -71.9 | 0 | 0 | 0 | 111.9 | L292 L296 | L292-Y294 HydrophobicContact CB-CD2 3.96Å; L292-Y294 HydrophobicContact CB-CE2 3.59Å; L292-Y294 HydrophobicContact CD1-CE2 4Å; L292-Y294 HydrophobicContact CD2-CE2 4.37Å; L292-Y294 HydrophobicContact CG-CE2 4.19Å; L292-Y294 PolarHBondContact O-N 3.17Å; L292-Y294 VanDerWaalsContact O-N 3.14Å; Y294-L296 PolarHBondContact O-N 3.22Å | ||
| 295 | R | 24.3 | Very low | 28.2 | Very low | 168 Ų | 168 | 154 Ų | 154 | 63% | 0.634 | 77% | 0.767 | S | S | * | * | trans | -87.9 | 88.8 | 176.1 | -175.7 | 179.6 | 176.4 | -161 | -4.9 | 109.8 | W151 Y293 K297 | W151-R295 VanDerWaalsContact NE1-NH2 3.13Å; Y293-R295 PolarHBondContact O-N 3.12Å; R295-K297 PolarHBondContact O-N 2.98Å; R295-K297 VanDerWaalsContact O-N 3.08Å | ||
| 296 | L | 25.6 | Very low | 27.9 | Very low | 138 Ų | 138 | 159.2 Ų | 159.2 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | trans | -60.5 | 109.6 | 179.6 | -80 | 163.5 | 0 | 0 | 0 | 112 | Y294 F298 | Y294-L296 PolarHBondContact O-N 3.22Å; L296-F298 HydrophobicContact CB-CD2 4.26Å; L296-F298 HydrophobicContact CB-CE2 4.19Å; L296-F298 HydrophobicContact CD1-CE2 4.35Å; L296-F298 HydrophobicContact CD2-CE2 4Å; L296-F298 HydrophobicContact CD2-CZ 4.48Å; L296-F298 HydrophobicContact CG-CE2 4.42Å | ||
| 297 | K | 24.6 | Very low | 28 | Very low | 200 Ų | 200 | 159.8 Ų | 159.8 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | trans | -95.7 | 87.3 | 175.5 | -175.4 | -175.2 | 179.4 | -176.8 | 0 | 109.2 | R295 | R295-K297 PolarHBondContact O-N 2.98Å; R295-K297 VanDerWaalsContact O-N 3.08Å | ||
| 298 | F | 27.3 | Very low | 28.5 | Very low | 165 Ų | 165 | 162.2 Ų | 162.2 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | -80.4 | 149.9 | 172.2 | -83.6 | -75 | 0 | 0 | 0 | 112 | L296 | L296-F298 HydrophobicContact CB-CD2 4.26Å; L296-F298 HydrophobicContact CB-CE2 4.19Å; L296-F298 HydrophobicContact CD1-CE2 4.35Å; L296-F298 HydrophobicContact CD2-CE2 4Å; L296-F298 HydrophobicContact CD2-CZ 4.48Å; L296-F298 HydrophobicContact CG-CE2 4.42Å | ||
| 299 | M | 26.5 | Very low | 29 | Very low | 167 Ų | 167 | 162 Ų | 162 | 82% | 0.823 | 78% | 0.777 | S | S | * | * | trans | -70.6 | 133.8 | -165.4 | -58.9 | 178.8 | -67.8 | 0 | 0 | 112.6 | ||||
| 300 | N | 28.1 | Very low | 29.3 | Very low | 119 Ų | 119 | 155.2 Ų | 155.2 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -118.7 | -4.1 | 169.3 | -147.2 | 9.1 | 0 | 0 | 0 | 112.4 | A302 | N300-A302 PolarHBondContact O-N 3.08Š| ||
| 301 | D | 28.9 | Very low | 30 | Very low | 128 Ų | 128 | 159.5 Ų | 159.5 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -8.9 | -173.4 | -53.4 | -56.4 | 0 | 0 | 0 | 113.9 | ||
| 302 | A | 29.1 | Very low | 30.6 | Very low | 85 Ų | 85 | 155.9 Ų | 155.9 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -16.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | N300 | N300-A302 PolarHBondContact O-N 3.08Š|
| 303 | F | 31 | Very low | 31.2 | Very low | 173 Ų | 173 | 160.5 Ų | 160.5 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -105.9 | 2.9 | -172.7 | -84 | -80.4 | 0 | 0 | 0 | 115.3 | ||
| 304 | Q | 31.1 | Very low | 32.2 | Very low | 165 Ų | 165 | 158 Ų | 158 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -102.4 | 26.9 | -177.7 | -67 | -167.1 | -11.2 | 0 | 0 | 114.7 | ||
| 305 | R | 32.6 | Very low | 32.9 | Very low | 225 Ų | 225 | 158.2 Ų | 158.2 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | trans | -134.4 | 55.3 | -177.6 | -66.4 | -167.9 | 179.8 | -162.3 | 0.7 | 114.4 | ||||
| 306 | Y | 31.9 | Very low | 33.5 | Very low | 233 Ų | 233 | 153.6 Ų | 153.6 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | trans | -147.1 | 70.2 | 165.6 | -107.2 | -78.6 | 0 | 0 | 0 | 111.4 | ||||
| 307 | E | 36.3 | Very low | 34.2 | Very low | 188 Ų | 188 | 154.3 Ų | 154.3 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -92.8 | 121.3 | 160 | -75.9 | -163.5 | 135.3 | 0 | 0 | 109.7 | A309 | E307-A309 PolarHBondContact O-N 3.05Š| ||
| 308 | P | 39.1 | Very low | 34.7 | Very low | 127 Ų | 127 | 151.5 Ų | 151.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -78 | 110.3 | 168.2 | 30.5 | -31 | 0 | 0 | 0 | 109.7 | G310 | P308-G310 PolarHBondContact O-N 3.08Š| ||
| 309 | A | 37.3 | Very low | 35.2 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | trans | -77.5 | 118.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E307 | E307-A309 PolarHBondContact O-N 3.05Š| ||
| 310 | G | 34.3 | Very low | 35.5 | Very low | 65 Ų | 65 | 149.9 Ų | 149.9 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | 99 | 118.3 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | P308 | P308-G310 PolarHBondContact O-N 3.08Š| ||
| 311 | H | 40.3 | Very low | 36 | Very low | 192 Ų | 192 | 152.3 Ų | 152.3 | 89% | 0.889 | 80% | 0.799 | S | S | * | * | -157.5 | 153.2 | 106.8 | -101.4 | -61.8 | 0 | 0 | 0 | 111 | |||||
| 312 | P | 39.9 | Very low | 36.2 | Very low | 116 Ų | 116 | 154.3 Ų | 154.3 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -90.6 | 166.3 | -173.2 | 36.2 | -34.8 | 0 | 0 | 0 | 114.2 | ||||
| 313 | R | 36.1 | Very low | 36.2 | Very low | 217 Ų | 217 | 158.4 Ų | 158.4 | 82% | 0.819 | 81% | 0.814 | S | S | * | * | trans | -55 | 155.3 | 179.9 | -62.2 | 171.4 | 171.1 | 170.3 | -6 | 114.8 | ||||
| 314 | N | 45.7 | Very low | 36.2 | Very low | 168 Ų | 168 | 155.7 Ų | 155.7 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | -145.8 | 158.9 | 128.3 | -111 | -30.6 | 0 | 0 | 0 | 111.6 | |||||
| 315 | H | 39.8 | Very low | 36 | Very low | 176 Ų | 176 | 152.5 Ų | 152.5 | 82% | 0.815 | 82% | 0.816 | S | S | * | * | trans | -92.6 | 156.2 | 178.6 | -79.7 | -101.1 | 0 | 0 | 0 | 111.8 | ||||
| 316 | G | 38.2 | Very low | 36 | Very low | 72 Ų | 72 | 149.9 Ų | 149.9 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | -179.6 | 131.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 317 | D | 40.1 | Very low | 36 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -88 | 172 | -176.4 | -59.8 | -82.1 | 0 | 0 | 0 | 113 | ||||
| 318 | N | 35.6 | Very low | 35.5 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | 28.8 | 130.9 | 152.9 | -53.7 | -20.3 | 0 | 0 | 0 | 118.7 | ||||
| 319 | D | 36.8 | Very low | 35 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | -165.5 | 173.7 | 61.6 | -125.8 | -42.1 | 0 | 0 | 0 | 114.6 | |||||
| 320 | L | 33.4 | Very low | 34.4 | Very low | 146 Ų | 146 | 145 Ų | 145 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | -70.7 | 138.5 | 163.1 | -93.2 | 65.6 | 0 | 0 | 0 | 110.4 | ||||
| 321 | H | 38.6 | Very low | 34.1 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | trans | -170.7 | 133.2 | 131.8 | -94 | -42.3 | 0 | 0 | 0 | 114.9 | ||||
| 322 | Q | 33 | Very low | 33.4 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 57.4 | 113.9 | 142.5 | -60.1 | 178.2 | 10.4 | 0 | 0 | 121 | ||||
| 323 | L | 28.2 | Very low | 32.6 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | trans | -68 | 153.3 | 150 | -69.3 | 161.9 | 0 | 0 | 0 | 111.1 | ||||
| 324 | P | 32.3 | Very low | 32.1 | Very low | 116 Ų | 116 | 145 Ų | 145 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | -105.2 | 146.2 | 139.4 | 34.5 | -28.9 | 0 | 0 | 0 | 110.8 | ||||
| 325 | A | 26.4 | Very low | 31.1 | Very low | 98 Ų | 98 | 143 Ų | 143 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -78.4 | 150.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 326 | I | 32.4 | Very low | 30.4 | Very low | 169 Ų | 169 | 142 Ų | 142 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -119.1 | 134.6 | 163.9 | -62.5 | 179.8 | 0 | 0 | 0 | 107.3 | ||||
| 327 | T | 31.4 | Very low | 30.1 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -88.1 | 161.9 | -170.4 | 45.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 328 | N | 26.6 | Very low | 29.6 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -37.8 | 141.8 | 174.9 | -49.8 | -21.7 | 0 | 0 | 0 | 114.7 | ||||
| 329 | D | 28.4 | Very low | 29.6 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | -154.1 | 150.6 | 124.4 | -115.5 | -31.2 | 0 | 0 | 0 | 112.8 | |||||
| 330 | S | 25.7 | Very low | 30.1 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 21.6 | 107.3 | 169 | 63.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 331 | A | 26.6 | Very low | 30.7 | Very low | 103 Ų | 103 | 140 Ų | 140 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -142.6 | 122.3 | 148 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 332 | T | 26.3 | Very low | 31.7 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -79.4 | 130.3 | -175 | 39.1 | 0 | 0 | 0 | 0 | 112.4 | E334 | T332-E334 PolarHBondContact O-N 3.29Š| ||
| 333 | M | 22.5 | Very low | 33.3 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -84.2 | 85.3 | 175 | -171.4 | -178.2 | -64.8 | 0 | 0 | 110.2 | ||||
| 334 | E | 25.5 | Very low | 35.1 | Very low | 171 Ų | 171 | 130 Ų | 130 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | trans | -74 | 134.3 | 171.8 | -73 | -167.6 | 123.2 | 0 | 0 | 111.5 | T332 I336 | T332-E334 PolarHBondContact O-N 3.29Å; E334-I336 PolarHBondContact O-N 3.23Å | ||
| 335 | C | 26.3 | Very low | 37.1 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | trans | -75.6 | 112 | 176.1 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | P337 | C335-P337 WeakPolarHBondContact O-CD 3.28Š| ||
| 336 | I | 24.7 | Very low | 39 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 122.7 | 174.1 | -57.1 | 174.4 | 0 | 0 | 0 | 108.7 | E334 | E334-I336 PolarHBondContact O-N 3.23Š|
| 337 | P | 31.7 | Very low | 41.3 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 72% | 0.721 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 148.3 | 177.3 | 27.1 | -34.1 | 0 | 0 | 0 | 111 | C335 Q339 | C335-P337 WeakPolarHBondContact O-CD 3.28Å; P337-Q339 PolarHBondContact O-N 3.45Å |
| 338 | A | 29.3 | Very low | 43.2 | Very low | 97 Ų | 97 | 119.5 Ų | 119.5 | 80% | 0.802 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -56 | 135.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q340 | A338-Q340 PolarHBondContact O-N 3.41Š|
| 339 | Q | 36.1 | Very low | 45.6 | Very low | 123 Ų | 123 | 117 Ų | 117 | 58% | 0.575 | 66% | 0.661 | S | S | * | * | trans | -65.8 | 98.6 | -175.6 | -72.6 | -170 | 0.8 | 0 | 0 | 111.7 | P337 Y341 P363 | P337-Q339 PolarHBondContact O-N 3.45Å; Q339-Y341 PolarHBondContact O-N 3.27Å; Q339-Y341 VanDerWaalsContact O-N 3.16Å; Q339-P363 HydrophobicContact CB-CG 3.98Å; Q339-P363 HydrophobicContact CG-CG 3.89Å | ||
| 340 | Q | 46.4 | Very low | 47.5 | Very low | 166 Ų | 166 | 116.5 Ų | 116.5 | 78% | 0.776 | 65% | 0.653 | S | S | * | * | trans | -78.6 | 98.2 | 175.9 | -165.9 | 174 | 16.7 | 0 | 0 | 109.7 | A338 Q342 | A338-Q340 PolarHBondContact O-N 3.41Å; Q340-Q342 PolarHBondContact O-N 3.08Å | ||
| 341 | Y | 46 | Very low | 50.3 | Low | 126 Ų | 126 | 114 Ų | 114 | 49% | 0.494 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -60 | 132.2 | 170.2 | -67.5 | -88.5 | 0 | 0 | 0 | 110.1 | Q339 | Q339-Y341 PolarHBondContact O-N 3.27Å; Q339-Y341 VanDerWaalsContact O-N 3.16Å |
| 342 | Q | 59.6 | Low | 53 | Low | 100 Ų | 100 | 117.3 Ų | 117.3 | 47% | 0.467 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 133 | 167.5 | -72.3 | -176.4 | -12.3 | 0 | 0 | 108.7 | Q340 I361 | Q340-Q342 PolarHBondContact O-N 3.08Å; Q342-I361 HydrophobicContact CB-CB 4.22Å; Q342-I361 HydrophobicContact CB-CD1 4.44Å; Q342-I361 PolarHBondContact N-O 2.84Å; Q342-I361 WeakPolarHBondContact O-CB 3.21Å; Q342-I361 PolarHBondContact O-N 2.75Å |
| 343 | H | 66.3 | Low | 55.2 | Low | 122 Ų | 122 | 118 Ų | 118 | 57% | 0.565 | 64% | 0.643 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103 | 118.2 | 177.1 | -66.7 | -70.5 | 0 | 0 | 0 | 110.3 | T358 Y359 S360 | H343-T358 HydrophobicContact CB-CG2 3.9Å; H343-Y359 WeakPolarHBondContact CA-O 3.35Å; H343-S360 PolarHBondContact CE1-OG 2.83Å; H343-S360 VanDerWaalsContact CE1-OG 3.23Å; H343-S360 PolarHBondContact ND1-OG 3.12Å |
| 344 | L | 66.1 | Low | 58 | Low | 80 Ų | 80 | 114.3 Ų | 114.3 | 42% | 0.419 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98 | 109.3 | 172.5 | 178.9 | 67.6 | 0 | 0 | 0 | 109.1 | L346 T358 Y359 I361 | L344-L346 HydrophobicContact CD1-CD2 4.42Å; L344-L346 HydrophobicContact CD2-CD2 4.22Å; L344-L346 HydrophobicContact CG-CD2 4.16Å; L344-T358 WeakPolarHBondContact O-CA 3.43Å; L344-Y359 PolarHBondContact N-O 3.23Å; L344-Y359 PolarHBondContact O-N 2.71Å; L344-I361 HydrophobicContact CB-CD1 4Å; L344-I361 HydrophobicContact CB-CG1 4.44Å |
| 345 | T | 75.4 | Confident | 60.5 | Low | 66 Ų | 66 | 111.7 Ų | 111.7 | 41% | 0.405 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 111.2 | 173.8 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | T347 N356 V357 T358 | T345-T347 HydrophobicContact CG2-CG2 4.38Å; T345-N356 HydrophobicContact CG2-CB 3.96Å; T345-V357 WeakPolarHBondContact CA-O 3.34Å; T345-T358 WeakPolarHBondContact OG1-CG2 3.41Å; T345-T358 PolarHBondContact OG1-OG1 3.38Å |
| 346 | L | 65.6 | Low | 63 | Low | 90 Ų | 90 | 110.9 Ų | 110.9 | 47% | 0.471 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 124 | 168.6 | -59.8 | -174 | 0 | 0 | 0 | 109.2 | L344 N356 V357 Y359 | L344-L346 HydrophobicContact CD1-CD2 4.42Å; L344-L346 HydrophobicContact CD2-CD2 4.22Å; L344-L346 HydrophobicContact CG-CD2 4.16Å; L346-N356 CarbonylContact O-C 3.24Å; L346-N356 WeakPolarHBondContact O-CA 3.45Å; L346-V357 PolarHBondContact N-O 3.12Å; L346-V357 PolarHBondContact O-N 3.27Å; L346-Y359 HydrophobicContact CD1-CE2 3.81Å; L346-Y359 HydrophobicContact CG-CD2 4.42Å; L346-Y359 HydrophobicContact CG-CE2 4.06Å |
| 347 | T | 81.8 | Confident | 65.1 | Low | 110 Ų | 110 | 106.1 Ų | 106.1 | 68% | 0.675 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 136.1 | 174.8 | 61.9 | 0 | 0 | 0 | 0 | 109.7 | T345 N356 | T345-T347 HydrophobicContact CG2-CG2 4.38Å; T347-N356 WeakPolarHBondContact CG2-OD1 3.36Å |
| 348 | G | 70.8 | Confident | 67.3 | Low | 22 Ų | 22 | 104.6 Ų | 104.6 | 23% | 0.227 | 57% | 0.57 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -151.2 | -177.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P354 Y355 | G348-P354 CarbonylContact O-C 3.38Å; G348-P354 VanDerWaalsContact O-CA 3.3Å; G348-P354 WeakPolarHBondContact O-CA 3.42Å; G348-Y355 PolarHBondContact N-O 3.35Å; G348-Y355 PolarHBondContact O-N 3.14Å |
| 349 | T | 77.2 | Confident | 69.1 | Low | 101 Ų | 101 | 105.9 Ų | 105.9 | 62% | 0.62 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -133.6 | 129.2 | 178 | 52.5 | 0 | 0 | 0 | 0 | 111 | E353 Y355 | T349-E353 CarbonylContact C-O 2.96Å; T349-E353 VanDerWaalsContact CA-O 3.31Å; T349-E353 WeakPolarHBondContact CA-O 3.43Å; T349-Y355 VanDerWaalsContact C-CE1 3.5Å |
| 350 | H | 67.2 | Low | 70.7 | Confident | 148 Ų | 148 | 103.6 Ų | 103.6 | 69% | 0.685 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.1 | 95.7 | 176.5 | -176 | -91.6 | 0 | 0 | 0 | 108.6 | N352 E353 Y355 | H350-N352 PolarHBondContact O-N 3.34Å; H350-E353 PolarHBondContact N-O 3.06Å; H350-E353 PolarHBondContact O-N 3.17Å; H350-Y355 HydrophobicContact CB-CD1 3.78Å; H350-Y355 HydrophobicContact CB-CE1 4.06Å |
| 351 | G | 85.3 | Confident | 71.5 | Confident | 62 Ų | 62 | 97.9 Ų | 97.9 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | -128.2 | -158.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 352 | N | 83.7 | Confident | 72 | Confident | 171 Ų | 171 | 94.4 Ų | 94.4 | 91% | 0.914 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -6.4 | 178.3 | -66.9 | -11.4 | 0 | 0 | 0 | 113.7 | H350 | H350-N352 PolarHBondContact O-N 3.34Š|
| 353 | E | 72.1 | Confident | 71.5 | Confident | 148 Ų | 148 | 92 Ų | 92 | 69% | 0.692 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 124.2 | -178.9 | -64.9 | -168.5 | 148 | 0 | 0 | 110.9 | T349 H350 | T349-E353 CarbonylContact C-O 2.96Å; T349-E353 VanDerWaalsContact CA-O 3.31Å; T349-E353 WeakPolarHBondContact CA-O 3.43Å; H350-E353 PolarHBondContact N-O 3.06Å; H350-E353 PolarHBondContact O-N 3.17Å |
| 354 | P | 80.7 | Confident | 70.5 | Confident | 107 Ų | 107 | 91.3 Ų | 91.3 | 70% | 0.695 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 134.6 | 172.5 | 30.2 | -33.1 | 0 | 0 | 0 | 110.3 | G348 | G348-P354 CarbonylContact O-C 3.38Å; G348-P354 VanDerWaalsContact O-CA 3.3Å; G348-P354 WeakPolarHBondContact O-CA 3.42Å |
| 355 | Y | 79.2 | Confident | 69.6 | Low | 116 Ų | 116 | 90.7 Ų | 90.7 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 146 | 174 | 72.8 | -93.6 | 0 | 0 | 0 | 110.5 | G348 T349 H350 V357 | G348-Y355 PolarHBondContact N-O 3.35Å; G348-Y355 PolarHBondContact O-N 3.14Å; T349-Y355 VanDerWaalsContact C-CE1 3.5Å; H350-Y355 HydrophobicContact CB-CD1 3.78Å; H350-Y355 HydrophobicContact CB-CE1 4.06Å; Y355-V357 HydrophobicContact CD2-CG2 3.83Å; Y355-V357 HydrophobicContact CE2-CG2 3.9Å |
| 356 | N | 77.5 | Confident | 67.8 | Low | 108 Ų | 108 | 91.6 Ų | 91.6 | 58% | 0.578 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.9 | 178.1 | -65.4 | -14.5 | 0 | 0 | 0 | 109 | T345 L346 T347 | T345-N356 HydrophobicContact CG2-CB 3.96Å; L346-N356 CarbonylContact O-C 3.24Å; L346-N356 WeakPolarHBondContact O-CA 3.45Å; T347-N356 WeakPolarHBondContact CG2-OD1 3.36Å |
| 357 | V | 70.3 | Confident | 66.2 | Low | 55 Ų | 55 | 94.6 Ų | 94.6 | 33% | 0.333 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 114.3 | 173 | -169.5 | 0 | 0 | 0 | 0 | 108.7 | T345 L346 Y355 Y359 | T345-V357 WeakPolarHBondContact CA-O 3.34Å; L346-V357 PolarHBondContact N-O 3.12Å; L346-V357 PolarHBondContact O-N 3.27Å; Y355-V357 HydrophobicContact CD2-CG2 3.83Å; Y355-V357 HydrophobicContact CE2-CG2 3.9Å; V357-Y359 HydrophobicContact CB-CE2 3.97Å; V357-Y359 HydrophobicContact CG1-CD2 4.28Å; V357-Y359 HydrophobicContact CG1-CE1 4.29Å; V357-Y359 HydrophobicContact CG1-CE2 3.55Å |
| 358 | T | 76 | Confident | 63.8 | Low | 78 Ų | 78 | 97.4 Ų | 97.4 | 48% | 0.479 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.5 | -179.8 | -56.6 | 0 | 0 | 0 | 0 | 110.7 | H343 L344 T345 | H343-T358 HydrophobicContact CB-CG2 3.9Å; L344-T358 WeakPolarHBondContact O-CA 3.43Å; T345-T358 WeakPolarHBondContact OG1-CG2 3.41Å; T345-T358 PolarHBondContact OG1-OG1 3.38Å |
| 359 | Y | 68 | Low | 61.8 | Low | 125 Ų | 125 | 102.1 Ų | 102.1 | 49% | 0.49 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.5 | 176.2 | -59.3 | -93.6 | 0 | 0 | 0 | 109.9 | H343 L344 L346 V357 | H343-Y359 WeakPolarHBondContact CA-O 3.35Å; L344-Y359 PolarHBondContact N-O 3.23Å; L344-Y359 PolarHBondContact O-N 2.71Å; L346-Y359 HydrophobicContact CD1-CE2 3.81Å; L346-Y359 HydrophobicContact CG-CD2 4.42Å; L346-Y359 HydrophobicContact CG-CE2 4.06Å; V357-Y359 HydrophobicContact CB-CE2 3.97Å; V357-Y359 HydrophobicContact CG1-CD2 4.28Å; V357-Y359 HydrophobicContact CG1-CE1 4.29Å; V357-Y359 HydrophobicContact CG1-CE2 3.55Å |
| 360 | S | 69.7 | Low | 59.5 | Low | 74 Ų | 74 | 105 Ų | 105 | 52% | 0.517 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.8 | 107.5 | 170.2 | -57.6 | 0 | 0 | 0 | 0 | 109.8 | H343 P362 | H343-S360 PolarHBondContact CE1-OG 2.83Å; H343-S360 VanDerWaalsContact CE1-OG 3.23Å; H343-S360 PolarHBondContact ND1-OG 3.12Å; S360-P362 WeakPolarHBondContact O-CD 3.21Å |
| 361 | I | 63.1 | Low | 57.7 | Low | 46 Ų | 46 | 103.3 Ų | 103.3 | 24% | 0.236 | 58% | 0.575 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.2 | 119.6 | 173.9 | -56.9 | 175.8 | 0 | 0 | 0 | 107.8 | Q342 L344 | Q342-I361 HydrophobicContact CB-CB 4.22Å; Q342-I361 HydrophobicContact CB-CD1 4.44Å; Q342-I361 PolarHBondContact N-O 2.84Å; Q342-I361 WeakPolarHBondContact O-CB 3.21Å; Q342-I361 PolarHBondContact O-N 2.75Å; L344-I361 HydrophobicContact CB-CD1 4Å; L344-I361 HydrophobicContact CB-CG1 4.44Å |
| 362 | P | 55.6 | Low | 54.8 | Low | 54 Ų | 54 | 104.9 Ų | 104.9 | 35% | 0.351 | 58% | 0.582 | S | S | . | * | trans | -68.3 | 148.7 | 173.6 | 30 | -33.9 | 0 | 0 | 0 | 110 | S360 S364 S365 | S360-P362 WeakPolarHBondContact O-CD 3.21Å; P362-S364 PolarHBondContact O-N 2.98Å; P362-S365 WeakPolarHBondContact O-CB 3.4Å; P362-S365 PolarHBondContact O-N 3.41Å | ||
| 363 | P | 50.1 | Low | 52.2 | Low | 48 Ų | 48 | 105.6 Ų | 105.6 | 31% | 0.312 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -62.1 | -20.7 | -172 | 26 | -37.2 | 0 | 0 | 0 | 114.1 | Q339 S365 | Q339-P363 HydrophobicContact CB-CG 3.98Å; Q339-P363 HydrophobicContact CG-CG 3.89Å; P363-S365 PolarHBondContact O-N 3.11Å |
| 364 | S | 45.7 | Very low | 50.1 | Low | 109 Ų | 109 | 107.4 Ų | 107.4 | 76% | 0.762 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -68.4 | -9.2 | 172.3 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | P362 | P362-S364 PolarHBondContact O-N 2.98Š|
| 365 | S | 47 | Very low | 47.8 | Very low | 67 Ų | 67 | 107.8 Ų | 107.8 | 47% | 0.469 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -113 | 14.4 | -172.7 | -61.5 | 0 | 0 | 0 | 0 | 113.8 | P362 P363 L367 | P362-S365 WeakPolarHBondContact O-CB 3.4Å; P362-S365 PolarHBondContact O-N 3.41Å; P363-S365 PolarHBondContact O-N 3.11Å; S365-L367 PolarHBondContact O-N 3.29Å |
| 366 | V | 36.6 | Very low | 45.7 | Very low | 84 Ų | 84 | 109.8 Ų | 109.8 | 51% | 0.509 | 61% | 0.607 | S | S | . | * | trans | -78.1 | 65.2 | 176.3 | -169.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 367 | L | 31.6 | Very low | 43.6 | Very low | 154 Ų | 154 | 109.7 Ų | 109.7 | 81% | 0.806 | 62% | 0.621 | S | S | * | * | trans | -93.9 | 134.2 | 166.4 | -114 | 158.2 | 0 | 0 | 0 | 108.3 | S365 V369 | S365-L367 PolarHBondContact O-N 3.29Å; L367-V369 PolarHBondContact O-N 3.33Å | ||
| 368 | Q | 33 | Very low | 41.9 | Very low | 168 Ų | 168 | 110.9 Ų | 110.9 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | trans | -65 | 96.7 | -167.4 | -69.4 | 179.3 | -36.9 | 0 | 0 | 113.5 | H370 | Q368-H370 PolarHBondContact O-N 3.03Š| ||
| 369 | V | 28.6 | Very low | 40.1 | Very low | 121 Ų | 121 | 112.9 Ų | 112.9 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | trans | -75.7 | 91.3 | 173.6 | -165.4 | 0 | 0 | 0 | 0 | 110.4 | L367 I371 | L367-V369 PolarHBondContact O-N 3.33Å; V369-I371 VanDerWaalsContact C-N 3.34Å; V369-I371 HydrophobicContact CG1-CD1 4.26Å; V369-I371 HydrophobicContact CG1-CG1 3.62Å; V369-I371 PolarHBondContact O-N 3.46Å | ||
| 370 | H | 28.2 | Very low | 38.7 | Very low | 163 Ų | 163 | 115.5 Ų | 115.5 | 76% | 0.755 | 67% | 0.673 | S | S | * | * | trans | -72.4 | 86.2 | 167 | -84.9 | 66 | 0 | 0 | 0 | 110.2 | Q368 A372 | Q368-H370 PolarHBondContact O-N 3.03Å; H370-A372 PolarHBondContact O-N 3.12Å; H370-A372 VanDerWaalsContact O-N 3.09Å | ||
| 371 | I | 29.6 | Very low | 37.4 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 57% | 0.574 | 69% | 0.688 | S | S | * | * | trans | -74.8 | 96.7 | 171.2 | -54.3 | -176.8 | 0 | 0 | 0 | 109 | V369 F373 | V369-I371 VanDerWaalsContact C-N 3.34Å; V369-I371 HydrophobicContact CG1-CD1 4.26Å; V369-I371 HydrophobicContact CG1-CG1 3.62Å; V369-I371 PolarHBondContact O-N 3.46Å; I371-F373 HydrophobicContact CB-CE2 4.43Å; I371-F373 HydrophobicContact CG2-CD2 3.99Å; I371-F373 HydrophobicContact CG2-CE2 3.91Å; I371-F373 HydrophobicContact CG2-CZ 4.49Å; I371-F373 PolarHBondContact O-N 3.14Å | ||
| 372 | A | 24.3 | Very low | 36.1 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | trans | -72.2 | 94.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | H370 Q374 | H370-A372 PolarHBondContact O-N 3.12Å; H370-A372 VanDerWaalsContact O-N 3.09Å; A372-Q374 PolarHBondContact O-N 3.33Å; A372-Q374 VanDerWaalsContact O-N 3.11Å | ||
| 373 | F | 29.5 | Very low | 35.3 | Very low | 185 Ų | 185 | 128.4 Ų | 128.4 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | -62.9 | 108.6 | 169 | -80 | -94.3 | 0 | 0 | 0 | 110 | I371 P375 | I371-F373 HydrophobicContact CB-CE2 4.43Å; I371-F373 HydrophobicContact CG2-CD2 3.99Å; I371-F373 HydrophobicContact CG2-CE2 3.91Å; I371-F373 HydrophobicContact CG2-CZ 4.49Å; I371-F373 PolarHBondContact O-N 3.14Å; F373-P375 WeakPolarHBondContact O-CD 3.39Å | ||
| 374 | Q | 27.1 | Very low | 35.2 | Very low | 186 Ų | 186 | 131 Ų | 131 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | -78 | 120.8 | 161.2 | -83.4 | -165.7 | -21.1 | 0 | 0 | 109.3 | A372 | A372-Q374 PolarHBondContact O-N 3.33Å; A372-Q374 VanDerWaalsContact O-N 3.11Å | ||
| 375 | P | 34.2 | Very low | 35 | Very low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -76.8 | 126.9 | 178.4 | 30 | -33.4 | 0 | 0 | 0 | 111.7 | F373 | F373-P375 WeakPolarHBondContact O-CD 3.39Š| ||
| 376 | N | 33.7 | Very low | 35.1 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | 32 | 88.3 | 154 | -63.2 | -11.6 | 0 | 0 | 0 | 118 | A378 | N376-A378 PolarHBondContact O-N 3.3Å; N376-A378 VanDerWaalsContact O-N 3.13Å | ||
| 377 | A | 32.9 | Very low | 35.4 | Very low | 106 Ų | 106 | 137 Ų | 137 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | -69.1 | 101.5 | 150 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 378 | A | 34.8 | Very low | 35.9 | Very low | 81 Ų | 81 | 138.1 Ų | 138.1 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 146.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.8 | N376 L380 | N376-A378 PolarHBondContact O-N 3.3Å; N376-A378 VanDerWaalsContact O-N 3.13Å; A378-L380 PolarHBondContact O-N 2.91Å |
| 379 | P | 38.1 | Very low | 36.5 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 121.5 | 176 | 27.9 | -33.7 | 0 | 0 | 0 | 110.4 | Q381 | P379-Q381 PolarHBondContact O-N 3.24Š|
| 380 | L | 38.8 | Very low | 37.2 | Very low | 180 Ų | 180 | 142.3 Ų | 142.3 | 94% | 0.942 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 118.4 | 170.3 | -90.7 | 165.7 | 0 | 0 | 0 | 109.5 | A378 | A378-L380 PolarHBondContact O-N 2.91Š|
| 381 | Q | 42.2 | Very low | 38 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 150.3 | 176.9 | -68.3 | -179.8 | -19.5 | 0 | 0 | 110.9 | P379 | P379-Q381 PolarHBondContact O-N 3.24Š|
| 382 | A | 35.8 | Very low | 38.4 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 142 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 383 | L | 39.1 | Very low | 39.4 | Very low | 165 Ų | 165 | 144 Ų | 144 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 139.9 | 161.3 | -76 | 167.8 | 0 | 0 | 0 | 109.5 | ||
| 384 | P | 47.8 | Very low | 39.9 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 66% | 0.656 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 156.7 | -178 | 32 | -36 | 0 | 0 | 0 | 112.4 | M386 | P384-M386 PolarHBondContact O-N 2.62Š|
| 385 | P | 42.4 | Very low | 40.6 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 117.7 | 173.6 | 29.9 | -33.3 | 0 | 0 | 0 | 110.9 | ||
| 386 | M | 48.6 | Very low | 41.3 | Very low | 189 Ų | 189 | 142.4 Ų | 142.4 | 93% | 0.931 | 80% | 0.801 | S | S | * | * | trans | -83.7 | 111.9 | 167.8 | -73 | -97.4 | -73.7 | 0 | 0 | 109.1 | P384 | P384-M386 PolarHBondContact O-N 2.62Š| ||
| 387 | G | 43.2 | Very low | 41.5 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | -94.8 | 172.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 388 | E | 43.1 | Very low | 41.9 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | 68.8 | 111.5 | 160.9 | -52.8 | -159 | 153.1 | 0 | 0 | 119.2 | ||||
| 389 | N | 45.3 | Very low | 42.4 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | 46.3 | 112.9 | 127.9 | -50.8 | -43.9 | 0 | 0 | 0 | 119.2 | |||||
| 390 | Y | 42.1 | Very low | 43.1 | Very low | 240 Ų | 240 | 145.5 Ų | 145.5 | 94% | 0.941 | 80% | 0.797 | S | S | * | * | -150.2 | 155.3 | 126.2 | -116.8 | -76.9 | 0 | 0 | 0 | 112.5 | |||||
| 391 | V | 45.9 | Very low | 43.5 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -94.5 | 141 | -166.7 | 175.6 | 0 | 0 | 0 | 0 | 112.5 | P393 | V391-P393 WeakPolarHBondContact O-CD 3.43Š| ||
| 392 | H | 37 | Very low | 43.4 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -77 | 127.2 | 174.1 | -145.6 | -84.8 | 0 | 0 | 0 | 111.1 | ||||
| 393 | P | 45.2 | Very low | 44.1 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -138.5 | 157.3 | 130 | 37.3 | -26.4 | 0 | 0 | 0 | 112.5 | V391 | V391-P393 WeakPolarHBondContact O-CD 3.43Š| ||
| 394 | Q | 41.4 | Very low | 44.6 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | trans | -129.3 | 151.8 | -176.5 | -136.5 | -172.5 | 27.5 | 0 | 0 | 112.4 | ||||
| 395 | M | 40.3 | Very low | 44.4 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 70% | 0.704 | 78% | 0.777 | S | S | * | * | trans | 60.4 | 98.3 | 163 | -56.6 | -165.9 | -175.6 | 0 | 0 | 118.8 | ||||
| 396 | N | 49.5 | Very low | 44.3 | Very low | 164 Ų | 164 | 145 Ų | 145 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | 169.4 | 137.4 | 93.3 | -88.9 | -41.1 | 0 | 0 | 0 | 112.7 | |||||
| 397 | G | 39.3 | Very low | 44.2 | Very low | 64 Ų | 64 | 146.8 Ų | 146.8 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | trans | 144.4 | 91.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 398 | Y | 39.9 | Very low | 45.1 | Very low | 232 Ų | 232 | 147.3 Ų | 147.3 | 91% | 0.91 | 76% | 0.759 | S | S | * | * | trans | 52.5 | 130.1 | 152.4 | -66.9 | -84.8 | 0 | 0 | 0 | 122.1 | ||||
| 399 | P | 46.1 | Very low | 46.2 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -93.9 | 166.5 | 172 | 38.9 | -35.4 | 0 | 0 | 0 | 113.6 | ||||
| 400 | P | 51.4 | Low | 47.3 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | -134.8 | 129.6 | 115.6 | 36.8 | -27.7 | 0 | 0 | 0 | 113.7 | |||||
| 401 | T | 47.5 | Very low | 48 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | 73.5 | 124.9 | 77.2 | 0.9 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 402 | F | 41.6 | Very low | 49 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | trans | 67.9 | 137.3 | 167.9 | -70.8 | -89.8 | 0 | 0 | 0 | 118.6 | ||||
| 403 | F | 49 | Very low | 49.9 | Very low | 181 Ų | 181 | 132.6 Ų | 132.6 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | cis | -161.3 | -170.3 | -19.2 | -131.6 | -141.4 | 0 | 0 | 0 | 108.8 | ||||
| 404 | P | 51 | Low | 50.8 | Low | 92 Ų | 92 | 132.4 Ų | 132.4 | 60% | 0.597 | 71% | 0.709 | S | S | * | * | trans | -123.1 | 179.6 | -131.3 | 45.4 | -31.4 | 0 | 0 | 0 | 116.2 | ||||
| 405 | F | 42.4 | Very low | 52 | Low | 213 Ų | 213 | 131.5 Ų | 131.5 | 93% | 0.934 | 72% | 0.716 | S | S | * | * | trans | -133.8 | 150.6 | 146.6 | -93.6 | -84.2 | 0 | 0 | 0 | 109.8 | ||||
| 406 | A | 40.4 | Very low | 52.9 | Low | 85 Ų | 85 | 133.5 Ų | 133.5 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | trans | -124.6 | 138.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 407 | Y | 46.8 | Very low | 53.6 | Low | 227 Ų | 227 | 131.7 Ų | 131.7 | 89% | 0.89 | 72% | 0.721 | S | S | * | * | trans | -124.8 | 118.9 | 163.7 | -76.9 | -83.9 | 0 | 0 | 0 | 109 | ||||
| 408 | P | 62.4 | Low | 54.2 | Low | 77 Ų | 77 | 137.3 Ų | 137.3 | 50% | 0.5 | 73% | 0.732 | S | S | . | * | trans | -82.7 | 172.9 | -179.2 | -2.9 | 18 | 0 | 0 | 0 | 114.2 | R488 | P408-R488 PolarHBondContact O-NH1 3.17Š| ||
| 409 | P | 65.8 | Low | 55 | Low | 78 Ų | 78 | 133.9 Ų | 133.9 | 51% | 0.506 | 73% | 0.729 | S | S | . | * | trans | -80.6 | 156.9 | -179.4 | 32.5 | -36.4 | 0 | 0 | 0 | 116 | R488 | P409-R488 VanDerWaalsContact C-NH1 3.31Å; P409-R488 WeakPolarHBondContact O-CB 3.49Å; P409-R488 WeakPolarHBondContact O-CG 3.3Å; P409-R488 PolarHBondContact O-NH1 3.09Å | ||
| 410 | P | 68.1 | Low | 55.8 | Low | 103 Ų | 103 | 134.6 Ų | 134.6 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | trans | -72.6 | -168.3 | -176.6 | 34.1 | -39 | 0 | 0 | 0 | 113.8 | R488 R489 | P410-R488 CarbonylContact O-C 3.54Å; P410-R488 WeakPolarHBondContact O-CA 3.48Å; P410-R489 CarbonylContact O-C 3.58Å; P410-R489 WeakPolarHBondContact O-CA 3.2Å; P410-R489 PolarHBondContact O-N 3.09Å | ||
| 411 | A | 56.7 | Low | 55.4 | Low | 57 Ų | 57 | 138.3 Ų | 138.3 | 47% | 0.471 | 74% | 0.742 | S | S | . | * | P | Polyproline II helix | trans | -102.4 | 154.1 | -160.2 | 0 | 0 | 0 | 0 | 0 | 118 | M487 R488 R489 | A411-M487 WeakPolarHBondContact CB-O 3.2Å; A411-R488 VanDerWaalsContact CA-N 3.33Å; A411-R489 CarbonylContact C-O 3.53Å; A411-R489 VanDerWaalsContact C-O 3.24Å |
| 412 | P | 68.3 | Low | 55.3 | Low | 71 Ų | 71 | 136.4 Ų | 136.4 | 46% | 0.461 | 74% | 0.744 | S | S | . | * | P | Polyproline II helix | trans | -88.8 | 147 | 169.6 | 38.7 | -32.3 | 0 | 0 | 0 | 111.1 | R489 | P412-R489 HydrophobicContact CB-CB 4.16Å; P412-R489 HydrophobicContact CG-CB 3.83Å; P412-R489 HydrophobicContact CG-CG 4.25Å |
| 413 | Y | 54.3 | Low | 55.3 | Low | 225 Ų | 225 | 136.7 Ų | 136.7 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 146.6 | 178.6 | -68.9 | -92.8 | 0 | 0 | 0 | 112.6 | ||
| 414 | P | 65.1 | Low | 54.7 | Low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 153.1 | 172.9 | 30.4 | -35.2 | 0 | 0 | 0 | 112 | ||
| 415 | P | 66.6 | Low | 54.1 | Low | 128 Ų | 128 | 136.2 Ų | 136.2 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 149.3 | -177.5 | 30.5 | -35.6 | 0 | 0 | 0 | 113.2 | ||
| 416 | Q | 58.3 | Low | 53.9 | Low | 184 Ų | 184 | 135.1 Ų | 135.1 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 148.2 | 171 | -71.1 | -175.5 | -15.9 | 0 | 0 | 111.9 | ||
| 417 | P | 65.1 | Low | 53.7 | Low | 126 Ų | 126 | 139.2 Ų | 139.2 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 130.6 | 173.6 | 29.7 | -34 | 0 | 0 | 0 | 111.5 | ||
| 418 | M | 52.3 | Low | 53.3 | Low | 183 Ų | 183 | 133.9 Ų | 133.9 | 90% | 0.901 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 137.5 | 172.7 | -69 | 176.1 | 63.1 | 0 | 0 | 111.3 | ||
| 419 | L | 56.4 | Low | 51.9 | Low | 160 Ų | 160 | 140.6 Ų | 140.6 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -76 | 143.5 | 164.9 | -70.4 | 170.4 | 0 | 0 | 0 | 110.3 | M421 | L419-M421 PolarHBondContact O-N 3.27Š|
| 420 | P | 63.1 | Low | 50.4 | Low | 126 Ų | 126 | 145.7 Ų | 145.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 124 | -177.6 | 29.2 | -34.1 | 0 | 0 | 0 | 112.2 | ||
| 421 | M | 43.3 | Very low | 49 | Very low | 198 Ų | 198 | 147.9 Ų | 147.9 | 98% | 0.975 | 79% | 0.789 | S | S | * | * | trans | -96.4 | 111.2 | 165.1 | -79 | -168.2 | 171.3 | 0 | 0 | 110.9 | L419 | L419-M421 PolarHBondContact O-N 3.27Š| ||
| 422 | G | 43.8 | Very low | 47.9 | Very low | 68 Ų | 68 | 150.9 Ų | 150.9 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -160.8 | 95.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 423 | Q | 41.6 | Very low | 46.4 | Very low | 174 Ų | 174 | 153.2 Ų | 153.2 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | 95.2 | 107 | 84.6 | -91.5 | -163.4 | 13.1 | 0 | 0 | 113.5 | |||||
| 424 | N | 37.5 | Very low | 45.6 | Very low | 137 Ų | 137 | 151 Ų | 151 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | trans | 80.6 | 159.4 | 143.4 | -56.2 | -35.4 | 0 | 0 | 0 | 121.2 | ||||
| 425 | V | 38.9 | Very low | 43.9 | Very low | 126 Ų | 126 | 156.3 Ų | 156.3 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | trans | 83.2 | 84.6 | 163.4 | -161 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 426 | F | 38 | Very low | 42.4 | Very low | 190 Ų | 190 | 155.5 Ų | 155.5 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | 53.8 | 139.9 | 126 | -90.9 | -87 | 0 | 0 | 0 | 124.2 | |||||
| 427 | Q | 36.3 | Very low | 41.3 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 80.7 | 144.1 | 157.7 | -67.6 | -164.1 | 1 | 0 | 0 | 119.9 | ||||
| 428 | P | 36.8 | Very low | 39.6 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -95.3 | 147.8 | -174.1 | 37.6 | -34 | 0 | 0 | 0 | 113 | ||||
| 429 | Y | 34.7 | Very low | 38.6 | Very low | 217 Ų | 217 | 152.3 Ų | 152.3 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -133.1 | 140.2 | 160.8 | -100.2 | -98.3 | 0 | 0 | 0 | 109.3 | N431 | Y429-N431 PolarHBondContact O-N 3.2Š| ||
| 430 | M | 33 | Very low | 37.5 | Very low | 185 Ų | 185 | 151.6 Ų | 151.6 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -64.9 | 130.6 | 162 | -69.8 | -169.8 | -175.6 | 0 | 0 | 108.3 | ||||
| 431 | N | 38.7 | Very low | 35.9 | Very low | 150 Ų | 150 | 151.8 Ų | 151.8 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -139.7 | 120.7 | 164.4 | -110.2 | -39.7 | 0 | 0 | 0 | 109.1 | Y429 P433 | Y429-N431 PolarHBondContact O-N 3.2Å; N431-P433 WeakPolarHBondContact O-CD 3.21Å | ||
| 432 | V | 33.7 | Very low | 35.2 | Very low | 119 Ų | 119 | 152.7 Ų | 152.7 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | trans | -87.9 | 120 | 177.7 | 175.3 | 0 | 0 | 0 | 0 | 108 | Q434 | V432-Q434 PolarHBondContact O-N 2.9Å; V432-Q434 VanDerWaalsContact O-N 3.13Å | ||
| 433 | P | 38 | Very low | 34.7 | Very low | 121 Ų | 121 | 157.9 Ų | 157.9 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -67.1 | 110.4 | 165.8 | -15.3 | 30.7 | 0 | 0 | 0 | 108.5 | N431 | N431-P433 WeakPolarHBondContact O-CD 3.21Š| ||
| 434 | Q | 36.8 | Very low | 34.1 | Very low | 177 Ų | 177 | 153.7 Ų | 153.7 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 141.6 | 171.5 | -69.1 | 178.5 | -18.1 | 0 | 0 | 109.8 | V432 | V432-Q434 PolarHBondContact O-N 2.9Å; V432-Q434 VanDerWaalsContact O-N 3.13Å |
| 435 | Y | 28.5 | Very low | 33.7 | Very low | 227 Ų | 227 | 153.4 Ų | 153.4 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 135.2 | 179.6 | -71.5 | -94.2 | 0 | 0 | 0 | 112.5 | ||
| 436 | P | 36.3 | Very low | 33.4 | Very low | 112 Ų | 112 | 152 Ų | 152 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 150.1 | 146.1 | -12.6 | 29.6 | 0 | 0 | 0 | 110 | ||
| 437 | P | 35.3 | Very low | 33.1 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 165.9 | -166.7 | 31.1 | -37.2 | 0 | 0 | 0 | 114.3 | Y439 | P437-Y439 PolarHBondContact O-N 3.29Š|
| 438 | A | 29.3 | Very low | 32.7 | Very low | 99 Ų | 99 | 155.1 Ų | 155.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -56 | 125.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 439 | Y | 31.5 | Very low | 32.4 | Very low | 215 Ų | 215 | 156.2 Ų | 156.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 123.7 | 170.1 | -110.7 | -98.7 | 0 | 0 | 0 | 110 | P437 V441 | P437-Y439 PolarHBondContact O-N 3.29Å; Y439-V441 PolarHBondContact O-N 3.17Å |
| 440 | N | 32.8 | Very low | 32.2 | Very low | 145 Ų | 145 | 155.8 Ų | 155.8 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | -67.8 | 100.7 | 174.7 | -82.1 | -29.5 | 0 | 0 | 0 | 110.6 | Y442 | N440-Y442 PolarHBondContact O-N 3.35Š| ||
| 441 | V | 29.6 | Very low | 31.9 | Very low | 129 Ų | 129 | 157.3 Ų | 157.3 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -79.7 | 65.2 | 165.5 | -170.1 | 0 | 0 | 0 | 0 | 108.9 | Y439 | Y439-V441 PolarHBondContact O-N 3.17Š| ||
| 442 | Y | 28.7 | Very low | 31.7 | Very low | 217 Ų | 217 | 155.9 Ų | 155.9 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -129.7 | 30 | -176.1 | -131.6 | -74.1 | 0 | 0 | 0 | 112.2 | N440 | N440-Y442 PolarHBondContact O-N 3.35Š| ||
| 443 | Q | 32.5 | Very low | 31.5 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -153.3 | 14.3 | -176.1 | -139.9 | 168.9 | 6.7 | 0 | 0 | 115.5 | ||
| 444 | A | 28.7 | Very low | 31.3 | Very low | 85 Ų | 85 | 153.7 Ų | 153.7 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -140.5 | 21.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 445 | V | 30.2 | Very low | 31.2 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -136.8 | 35.7 | 158.2 | -158.2 | 0 | 0 | 0 | 0 | 110.2 | E447 | V445-E447 PolarHBondContact O-N 3.16Å; V445-E447 VanDerWaalsContact O-N 3.13Å | ||
| 446 | S | 31.6 | Very low | 31.4 | Very low | 97 Ų | 97 | 146.5 Ų | 146.5 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 35.4 | 177 | 54 | 0 | 0 | 0 | 0 | 112.5 | ||
| 447 | E | 32.6 | Very low | 31.3 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.2 | 24.7 | -166.5 | -143.2 | 162.8 | -112.4 | 0 | 0 | 114.8 | V445 | V445-E447 PolarHBondContact O-N 3.16Å; V445-E447 VanDerWaalsContact O-N 3.13Å |
| 448 | W | 28.2 | Very low | 31.3 | Very low | 249 Ų | 249 | 149.6 Ų | 149.6 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | -146.4 | 46.9 | 162.8 | -119.5 | 33.9 | 0 | 0 | 0 | 113.4 | ||||
| 449 | N | 29.8 | Very low | 31.5 | Very low | 139 Ų | 139 | 149.4 Ų | 149.4 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -97.1 | 91.3 | 166.7 | -91.2 | -40.4 | 0 | 0 | 0 | 110.3 | ||||
| 450 | Y | 29.6 | Very low | 31.7 | Very low | 207 Ų | 207 | 146.1 Ų | 146.1 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -147.9 | 144.9 | 164.9 | -115.7 | -89 | 0 | 0 | 0 | 109.8 | ||||
| 451 | Y | 27.5 | Very low | 32 | Very low | 217 Ų | 217 | 146.2 Ų | 146.2 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | 67.5 | 43.3 | -179.4 | -67.8 | -80.6 | 0 | 0 | 0 | 118.2 | G453 | Y451-G453 PolarHBondContact O-N 3.11Š| ||
| 452 | T | 34.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -79.3 | 86.8 | 148.6 | 37.5 | 0 | 0 | 0 | 0 | 110.2 | V454 | T452-V454 PolarHBondContact O-N 3.05Š| ||
| 453 | G | 29.8 | Very low | 32.6 | Very low | 77 Ų | 77 | 148 Ų | 148 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -73.1 | 84.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y451 | Y451-G453 PolarHBondContact O-N 3.11Š| ||
| 454 | V | 32.9 | Very low | 32.9 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | -116.8 | 121.7 | 170.8 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | T452 V456 | T452-V454 PolarHBondContact O-N 3.05Å; V454-V456 PolarHBondContact O-N 3.22Å; V454-V456 VanDerWaalsContact O-N 3.17Å | ||
| 455 | P | 34.3 | Very low | 33.2 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | trans | -75.2 | 105.9 | -179.1 | 29.2 | -33.4 | 0 | 0 | 0 | 111.4 | S457 | P455-S457 PolarHBondContact O-N 3.47Š| ||
| 456 | V | 33.5 | Very low | 33.4 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -73 | 115.9 | 170.1 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | V454 | V454-V456 PolarHBondContact O-N 3.22Å; V454-V456 VanDerWaalsContact O-N 3.17Å | ||
| 457 | S | 35 | Very low | 33.2 | Very low | 100 Ų | 100 | 154.1 Ų | 154.1 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -101.9 | 127 | 171.8 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | P455 | P455-S457 PolarHBondContact O-N 3.47Š| ||
| 458 | Q | 34 | Very low | 32.9 | Very low | 190 Ų | 190 | 152.1 Ų | 152.1 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | 61.6 | 79.8 | 161.8 | -56.4 | -177.1 | 8.3 | 0 | 0 | 117.8 | ||||
| 459 | A | 33.8 | Very low | 32.9 | Very low | 94 Ų | 94 | 146 Ų | 146 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -143.5 | 122.8 | 135 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 460 | N | 36.1 | Very low | 32.5 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -94.9 | 171 | -179.4 | -79 | -15.4 | 0 | 0 | 0 | 111.6 | ||||
| 461 | D | 38.9 | Very low | 32.4 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | 94 | 145.6 | 162.7 | -53.8 | -29.6 | 0 | 0 | 0 | 118.4 | ||||
| 462 | F | 33.7 | Very low | 32.3 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 90% | 0.899 | 80% | 0.797 | S | S | * | * | trans | 74.7 | 77.3 | -179.7 | -68 | -81.2 | 0 | 0 | 0 | 119.6 | ||||
| 463 | Q | 37.4 | Very low | 32 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -65.5 | 173.4 | 140.8 | -94.9 | -168.5 | -7.5 | 0 | 0 | 112.6 | ||||
| 464 | P | 38 | Very low | 31.8 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | cis | -134.6 | -140.7 | -26.7 | 36.3 | -15 | 0 | 0 | 0 | 111.3 | ||||
| 465 | D | 36.3 | Very low | 31.8 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | 72.1 | 70.4 | 162.4 | -64.8 | -7.8 | 0 | 0 | 0 | 120.1 | ||||
| 466 | Q | 32.7 | Very low | 31.6 | Very low | 197 Ų | 197 | 139.6 Ų | 139.6 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | -158.8 | 143.1 | 120.5 | -113.2 | 154.9 | 78.3 | 0 | 0 | 113.2 | |||||
| 467 | Q | 28.1 | Very low | 31.5 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -89 | 130.5 | 177.1 | -67.9 | 176.2 | -25.1 | 0 | 0 | 110.7 | ||||
| 468 | C | 26.7 | Very low | 31.6 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 91% | 0.905 | 80% | 0.796 | S | S | * | * | trans | -125.6 | 142.5 | 159.7 | -86.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 469 | V | 27 | Very low | 31.7 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | -102.6 | 142.7 | -168 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | V471 | V469-V471 PolarHBondContact O-N 3.1Š| ||
| 470 | C | 23 | Very low | 31.6 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -65.3 | 115.6 | 170.2 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 471 | V | 26.3 | Very low | 31.5 | Very low | 124 Ų | 124 | 144 Ų | 144 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -111.7 | 116.8 | 175.6 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | V469 | V469-V471 PolarHBondContact O-N 3.1Š| ||
| 472 | S | 27.1 | Very low | 31.1 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -83.3 | 114.8 | 166 | -55.9 | 0 | 0 | 0 | 0 | 109.3 | F474 | S472-F474 PolarHBondContact O-N 3.26Š| ||
| 473 | A | 28.1 | Very low | 31.1 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -91.8 | 90.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 474 | F | 25.7 | Very low | 31 | Very low | 206 Ų | 206 | 135.1 Ų | 135.1 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | trans | -107.6 | 111.3 | 158.8 | -107.2 | -84.3 | 0 | 0 | 0 | 108.7 | S472 | S472-F474 PolarHBondContact O-N 3.26Š| ||
| 475 | S | 32.5 | Very low | 30.8 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -155.6 | 124.9 | 167.6 | 54.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 476 | S | 30.3 | Very low | 30.7 | Very low | 85 Ų | 85 | 137.1 Ų | 137.1 | 59% | 0.594 | 79% | 0.789 | S | S | * | * | cis | 59.7 | 97.5 | 19.4 | 90.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 477 | Y | 30.5 | Very low | 30.7 | Very low | 222 Ų | 222 | 134.3 Ų | 134.3 | 87% | 0.871 | 78% | 0.778 | S | S | * | * | -174.5 | 171.8 | 120.1 | -98 | -48.5 | 0 | 0 | 0 | 111.3 | |||||
| 478 | P | 38.4 | Very low | 31.3 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | trans | -132.5 | 176.5 | -134.9 | 43.7 | -25.9 | 0 | 0 | 0 | 115.7 | ||||
| 479 | T | 35.2 | Very low | 32 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -145.7 | 121.9 | 140.4 | 41.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 480 | D | 32.3 | Very low | 32.2 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | 77.2 | 133.7 | 64.9 | -96.5 | -33.7 | 0 | 0 | 0 | 115.6 | |||||
| 481 | Q | 34 | Very low | 32.7 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | 82.9 | 124.2 | 158.6 | -65.4 | 171.1 | 30.5 | 0 | 0 | 122.5 | ||||
| 482 | C | 30.7 | Very low | 33.1 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | trans | 81.6 | 132.2 | 140.8 | -70.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 483 | G | 32.5 | Very low | 33.4 | Very low | 70 Ų | 70 | 140.2 Ų | 140.2 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | 78.9 | 113.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 484 | I | 35.3 | Very low | 33.7 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | cis | 57.6 | 103.7 | 16.6 | -54.3 | -175.6 | 0 | 0 | 0 | 114 | ||||
| 485 | E | 34.5 | Very low | 34.3 | Very low | 181 Ų | 181 | 139 Ų | 139 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | 64.1 | 143.7 | 163 | -61.2 | 177.6 | 131.9 | 0 | 0 | 116.1 | ||||
| 486 | S | 34 | Very low | 34.4 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | cis | -162.6 | -173.7 | 39.5 | -160.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 487 | M | 33.3 | Very low | 34.7 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | trans | 52.7 | 97.7 | 164.6 | -61.4 | -177.2 | -67.5 | 0 | 0 | 116.8 | A411 | A411-M487 WeakPolarHBondContact CB-O 3.2Š| ||
| 488 | R | 40.9 | Very low | 35.1 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 49% | 0.494 | 75% | 0.745 | S | S | . | * | cis | 68.5 | 80.5 | 42.2 | -49.6 | -167.1 | 162.9 | -78.6 | 10.3 | 116.5 | P408 P409 P410 A411 | P408-R488 PolarHBondContact O-NH1 3.17Å; P409-R488 VanDerWaalsContact C-NH1 3.31Å; P409-R488 WeakPolarHBondContact O-CB 3.49Å; P409-R488 WeakPolarHBondContact O-CG 3.3Å; P409-R488 PolarHBondContact O-NH1 3.09Å; P410-R488 CarbonylContact O-C 3.54Å; P410-R488 WeakPolarHBondContact O-CA 3.48Å; A411-R488 VanDerWaalsContact CA-N 3.33Å | ||
| 489 | R | 39.8 | Very low | 34.8 | Very low | 244 Ų | 244 | 143.2 Ų | 143.2 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | -155.2 | 0 | 149.7 | -72.6 | -166.4 | 169.1 | -154.5 | -3.3 | 109.1 | P410 A411 P412 | P410-R489 CarbonylContact O-C 3.58Å; P410-R489 WeakPolarHBondContact O-CA 3.2Å; P410-R489 PolarHBondContact O-N 3.09Å; A411-R489 CarbonylContact C-O 3.53Å; A411-R489 VanDerWaalsContact C-O 3.24Å; P412-R489 HydrophobicContact CB-CB 4.16Å; P412-R489 HydrophobicContact CG-CB 3.83Å; P412-R489 HydrophobicContact CG-CG 4.25Å |
Retrieved 489 of 489 residues in 243.9 ms
(Link to these results)