| 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 | 50 | Low | 61.3 | Low | 228 Ų | 228 | 147 Ų | 147 | 100% | 1.123 | 78% | 0.778 | S | S | * | * | 0 | 122.9 | 0 | -73.6 | -105.9 | 52.8 | 0 | 0 | 108 | |||||
| 2 | P | 48.4 | Very low | 62.8 | Low | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -70.4 | 136.2 | 173.9 | 29.7 | -33.5 | 0 | 0 | 0 | 110.1 | ||||
| 3 | A | 51.3 | Low | 64.6 | Low | 93 Ų | 93 | 137.3 Ų | 137.3 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -77.8 | 126.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | L5 | A3-L5 PolarHBondContact O-N 3.41Å; A3-L5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | L | 54.2 | Low | 66.3 | Low | 167 Ų | 167 | 135.6 Ų | 135.6 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | trans | -73.2 | 98.8 | 168.3 | -74.1 | 171.4 | 0 | 0 | 0 | 108.9 | E6 | L4-E6 VanDerWaalsContact C-N 3.27Å; L4-E6 PolarHBondContact O-N 3.45Å | ||
| 5 | L | 53 | Low | 67.5 | Low | 163 Ų | 163 | 129.5 Ų | 129.5 | 85% | 0.853 | 70% | 0.703 | S | S | * | * | trans | -71.7 | 86.7 | 168.4 | -134.2 | 76.8 | 0 | 0 | 0 | 108.4 | A3 R7 | A3-L5 PolarHBondContact O-N 3.41Å; A3-L5 VanDerWaalsContact O-N 3.09Å; L5-R7 PolarHBondContact O-N 3.36Å | ||
| 6 | E | 56.4 | Low | 68.7 | Low | 147 Ų | 147 | 130.9 Ų | 130.9 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | trans | -59.6 | 103.1 | 175.6 | -80.7 | -145.1 | 112 | 0 | 0 | 109.7 | L4 K9 | L4-E6 VanDerWaalsContact C-N 3.27Å; L4-E6 PolarHBondContact O-N 3.45Å; E6-K9 IonicContact OE1-NZ 2.93Å; E6-K9 PolarHBondContact OE1-NZ 3.3Å | ||
| 7 | R | 64.5 | Low | 70.1 | Confident | 223 Ų | 223 | 126.9 Ų | 126.9 | 84% | 0.842 | 68% | 0.684 | S | S | * | * | trans | -59.5 | 128.4 | 172.1 | -72.1 | 179.2 | 173.8 | 158.5 | -1.9 | 108.8 | L5 K9 | L5-R7 PolarHBondContact O-N 3.36Å; R7-K9 PolarHBondContact O-N 2.84Å | ||
| 8 | P | 70.9 | Confident | 71.4 | Confident | 123 Ų | 123 | 124.2 Ų | 124.2 | 80% | 0.799 | 67% | 0.669 | S | S | * | * | trans | -51.9 | 116.2 | 176.9 | -29.7 | 36.2 | 0 | 0 | 0 | 111.4 | L10 | P8-L10 PolarHBondContact O-N 3.5Å; P8-L10 VanDerWaalsContact O-N 3.16Å | ||
| 9 | K | 73.3 | Confident | 72.5 | Confident | 169 Ų | 169 | 123.8 Ų | 123.8 | 74% | 0.735 | 66% | 0.662 | S | S | * | * | trans | -67.7 | 113 | 179.3 | -68.4 | 163.7 | -172.7 | 146.1 | 0 | 107.3 | E6 R7 S11 | E6-K9 IonicContact OE1-NZ 2.93Å; E6-K9 PolarHBondContact OE1-NZ 3.3Å; R7-K9 PolarHBondContact O-N 2.84Å; K9-S11 PolarHBondContact O-N 2.94Å | ||
| 10 | L | 71.2 | Confident | 73.5 | Confident | 108 Ų | 108 | 124.4 Ų | 124.4 | 57% | 0.565 | 66% | 0.658 | S | S | * | * | trans | -54.4 | 128.2 | -179.4 | -61.7 | 93.4 | 0 | 0 | 0 | 108.9 | P8 N12 M14 L18 | P8-L10 PolarHBondContact O-N 3.5Å; P8-L10 VanDerWaalsContact O-N 3.16Å; L10-N12 PolarHBondContact O-N 3.46Å; L10-M14 HydrophobicContact CB-SD 4.35Å; L10-M14 HydrophobicContact CD2-CG 4.41Å; L10-M14 HydrophobicContact CD2-SD 4.03Å; L10-L18 HydrophobicContact CD2-CD2 4.31Å | ||
| 11 | S | 80.9 | Confident | 74.4 | Confident | 77 Ų | 77 | 123 Ų | 123 | 54% | 0.538 | 65% | 0.648 | S | S | . | * | trans | -50.2 | 140.1 | -178.6 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | K9 A13 M14 A15 | K9-S11 PolarHBondContact O-N 2.94Å; S11-A13 PolarHBondContact O-N 2.71Å; S11-M14 CarbonylContact O-C 3.52Å; S11-M14 WeakPolarHBondContact O-CA 3.34Å; S11-M14 WeakPolarHBondContact O-CB 3.32Å; S11-M14 PolarHBondContact O-N 3.14Å; S11-A15 PolarHBondContact O-N 3.15Å | ||
| 12 | N | 79.4 | Confident | 76.5 | Confident | 111 Ų | 111 | 115.2 Ų | 115.2 | 59% | 0.594 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -55.5 | -32.6 | -175.4 | -166.4 | -21.3 | 0 | 0 | 0 | 112 | L10 R16 | L10-N12 PolarHBondContact O-N 3.46Å; N12-R16 VanDerWaalsContact O-CG 3.31Å; N12-R16 WeakPolarHBondContact O-CG 3.4Å; N12-R16 PolarHBondContact O-N 3.46Å; N12-R16 VanDerWaalsContact O-N 3.07Å; N12-R16 PolarHBondContact OD1-NH1 2.94Å |
| 13 | A | 86 | Confident | 78.6 | Confident | 57 Ų | 57 | 113.3 Ų | 113.3 | 47% | 0.471 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.4 | -45.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S11 R16 A17 | S11-A13 PolarHBondContact O-N 2.71Å; A13-R16 PolarHBondContact O-N 3.06Å; A13-A17 WeakPolarHBondContact O-CB 3.28Å; A13-A17 PolarHBondContact O-N 2.92Å |
| 14 | M | 88.3 | Confident | 80.5 | Confident | 114 Ų | 114 | 115.5 Ų | 115.5 | 56% | 0.562 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.1 | -39.7 | 176.7 | -175 | -178.7 | -75.2 | 0 | 0 | 111.9 | L10 S11 A17 L18 | L10-M14 HydrophobicContact CB-SD 4.35Å; L10-M14 HydrophobicContact CD2-CG 4.41Å; L10-M14 HydrophobicContact CD2-SD 4.03Å; S11-M14 CarbonylContact O-C 3.52Å; S11-M14 WeakPolarHBondContact O-CA 3.34Å; S11-M14 WeakPolarHBondContact O-CB 3.32Å; S11-M14 PolarHBondContact O-N 3.14Å; M14-A17 PolarHBondContact O-N 2.87Å; M14-L18 VanDerWaalsContact O-CB 3.25Å; M14-L18 WeakPolarHBondContact O-CB 3.31Å; M14-L18 PolarHBondContact O-N 3.2Å |
| 15 | A | 85.1 | Confident | 82.3 | Confident | 43 Ų | 43 | 111 Ų | 111 | 36% | 0.355 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.7 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S11 H19 | S11-A15 PolarHBondContact O-N 3.15Å; A15-H19 WeakPolarHBondContact O-CB 3.41Å; A15-H19 PolarHBondContact O-N 3.29Å |
| 16 | R | 86.9 | Confident | 84 | Confident | 153 Ų | 153 | 111 Ų | 111 | 58% | 0.577 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.3 | -40.4 | 174.3 | -68.3 | -175.3 | -54.4 | -116.6 | 15.3 | 112.5 | N12 A13 H19 K20 | N12-R16 VanDerWaalsContact O-CG 3.31Å; N12-R16 WeakPolarHBondContact O-CG 3.4Å; N12-R16 PolarHBondContact O-N 3.46Å; N12-R16 VanDerWaalsContact O-N 3.07Å; N12-R16 PolarHBondContact OD1-NH1 2.94Å; A13-R16 PolarHBondContact O-N 3.06Å; R16-H19 PolarHBondContact O-N 2.88Å; R16-K20 WeakPolarHBondContact O-CB 3.23Å; R16-K20 PolarHBondContact O-N 3.13Å |
| 17 | A | 91.7 | Very high | 85.4 | Confident | 62 Ų | 62 | 107.8 Ų | 107.8 | 51% | 0.512 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A13 M14 K20 H21 | A13-A17 WeakPolarHBondContact O-CB 3.28Å; A13-A17 PolarHBondContact O-N 2.92Å; M14-A17 PolarHBondContact O-N 2.87Å; A17-K20 PolarHBondContact O-N 3.37Å; A17-H21 WeakPolarHBondContact O-CB 3.38Å; A17-H21 PolarHBondContact O-N 3.14Å |
| 18 | L | 94 | Very high | 86.6 | Confident | 78 Ų | 78 | 102.7 Ų | 102.7 | 41% | 0.408 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.3 | -179.7 | 60.3 | 0 | 0 | 0 | 111.5 | L10 M14 K20 H21 I22 | L10-L18 HydrophobicContact CD2-CD2 4.31Å; M14-L18 VanDerWaalsContact O-CB 3.25Å; M14-L18 WeakPolarHBondContact O-CB 3.31Å; M14-L18 PolarHBondContact O-N 3.2Å; L18-K20 PolarHBondContact O-N 2.83Å; L18-H21 WeakPolarHBondContact O-CB 3.25Å; L18-H21 PolarHBondContact O-N 3.43Å; L18-I22 HydrophobicContact CD1-CD1 3.94Å; L18-I22 HydrophobicContact CD1-CG1 4.15Å; L18-I22 HydrophobicContact CG-CD1 3.83Å; L18-I22 HydrophobicContact CG-CG1 4.44Å; L18-I22 VanDerWaalsContact O-CG1 3.32Å; L18-I22 WeakPolarHBondContact O-CG1 3.32Å; L18-I22 PolarHBondContact O-N 2.81Å |
| 19 | H | 91.7 | Very high | 87.3 | Confident | 117 Ų | 117 | 103 Ų | 103 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 174.5 | -177.3 | 82.3 | 0 | 0 | 0 | 111.7 | A15 R16 H21 I22 M23 | A15-H19 WeakPolarHBondContact O-CB 3.41Å; A15-H19 PolarHBondContact O-N 3.29Å; R16-H19 PolarHBondContact O-N 2.88Å; H19-H21 VanDerWaalsContact C-N 3.28Å; H19-H21 PolarHBondContact O-N 3.02Å; H19-I22 PolarHBondContact O-N 2.7Å; H19-M23 WeakPolarHBondContact O-CG 3.39Å; H19-M23 PolarHBondContact O-N 2.7Å |
| 20 | K | 92.4 | Very high | 88 | Confident | 135 Ų | 135 | 101.2 Ų | 101.2 | 59% | 0.587 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.8 | -31.8 | 175.4 | -170.3 | 174.9 | -177.7 | 175.2 | 0 | 112.5 | R16 A17 L18 R24 | R16-K20 WeakPolarHBondContact O-CB 3.23Å; R16-K20 PolarHBondContact O-N 3.13Å; A17-K20 PolarHBondContact O-N 3.37Å; L18-K20 PolarHBondContact O-N 2.83Å; K20-R24 WeakPolarHBondContact O-CG 3.37Å; K20-R24 PolarHBondContact O-N 3.18Å; K20-R24 PolarHBondContact O-NH1 3.25Å |
| 21 | H | 93 | Very high | 88.6 | Confident | 96 Ų | 96 | 101.3 Ų | 101.3 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.8 | -52.5 | 171.6 | 178.4 | 50.3 | 0 | 0 | 0 | 111.4 | A17 L18 H19 M23 R24 E25 | A17-H21 WeakPolarHBondContact O-CB 3.38Å; A17-H21 PolarHBondContact O-N 3.14Å; L18-H21 WeakPolarHBondContact O-CB 3.25Å; L18-H21 PolarHBondContact O-N 3.43Å; H19-H21 VanDerWaalsContact C-N 3.28Å; H19-H21 PolarHBondContact O-N 3.02Å; H21-M23 VanDerWaalsContact C-N 3.3Å; H21-M23 PolarHBondContact O-N 2.68Å; H21-R24 CarbonylContact O-C 3.59Å; H21-R24 PolarHBondContact O-N 2.92Å; H21-R24 VanDerWaalsContact O-N 3.08Å; H21-E25 VanDerWaalsContact CE1-CG 3.4Å; H21-E25 WeakPolarHBondContact CE1-CG 3.33Å; H21-E25 WeakPolarHBondContact O-CG 3.38Å; H21-E25 PolarHBondContact O-N 3.43Å |
| 22 | I | 93.4 | Very high | 88.3 | Confident | 65 Ų | 65 | 102.8 Ų | 102.8 | 33% | 0.333 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.2 | -38.9 | 178.8 | -65.9 | 166.9 | 0 | 0 | 0 | 111.9 | L18 H19 E25 R26 | L18-I22 HydrophobicContact CD1-CD1 3.94Å; L18-I22 HydrophobicContact CD1-CG1 4.15Å; L18-I22 HydrophobicContact CG-CD1 3.83Å; L18-I22 HydrophobicContact CG-CG1 4.44Å; L18-I22 VanDerWaalsContact O-CG1 3.32Å; L18-I22 WeakPolarHBondContact O-CG1 3.32Å; L18-I22 PolarHBondContact O-N 2.81Å; H19-I22 PolarHBondContact O-N 2.7Å; I22-E25 PolarHBondContact O-N 3.48Å; I22-R26 WeakPolarHBondContact O-CB 3.41Å; I22-R26 VanDerWaalsContact O-CG 3.28Å; I22-R26 WeakPolarHBondContact O-CG 3.49Å; I22-R26 PolarHBondContact O-N 3.47Å |
| 23 | M | 93.3 | Very high | 88 | Confident | 79 Ų | 79 | 103.5 Ų | 103.5 | 39% | 0.389 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 174.1 | -69 | -58.8 | 105.2 | 0 | 0 | 111.6 | H19 H21 E25 R26 E27 | H19-M23 WeakPolarHBondContact O-CG 3.39Å; H19-M23 PolarHBondContact O-N 2.7Å; H21-M23 VanDerWaalsContact C-N 3.3Å; H21-M23 PolarHBondContact O-N 2.68Å; M23-E25 VanDerWaalsContact C-N 3.34Å; M23-E25 PolarHBondContact O-N 3.46Å; M23-R26 PolarHBondContact O-N 2.91Å; M23-E27 WeakPolarHBondContact O-CB 3.44Å; M23-E27 PolarHBondContact O-N 3.17Å |
| 24 | R | 91.6 | Very high | 87.6 | Confident | 139 Ų | 139 | 106.8 Ų | 106.8 | 53% | 0.525 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -38.3 | 174.3 | -79.6 | -156.7 | -119.8 | 70.6 | -24.5 | 113 | K20 H21 E27 R28 | K20-R24 WeakPolarHBondContact O-CG 3.37Å; K20-R24 PolarHBondContact O-N 3.18Å; K20-R24 PolarHBondContact O-NH1 3.25Å; H21-R24 CarbonylContact O-C 3.59Å; H21-R24 PolarHBondContact O-N 2.92Å; H21-R24 VanDerWaalsContact O-N 3.08Å; R24-E27 PolarHBondContact O-N 2.98Å; R24-R28 WeakPolarHBondContact O-CB 3.21Å; R24-R28 PolarHBondContact O-N 3.35Å |
| 25 | E | 90.4 | Very high | 87.2 | Confident | 71 Ų | 71 | 108.1 Ų | 108.1 | 33% | 0.332 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.9 | -38 | 178.8 | -76.3 | -63.7 | 98.2 | 0 | 0 | 112.2 | H21 I22 M23 R28 K29 | H21-E25 VanDerWaalsContact CE1-CG 3.4Å; H21-E25 WeakPolarHBondContact CE1-CG 3.33Å; H21-E25 WeakPolarHBondContact O-CG 3.38Å; H21-E25 PolarHBondContact O-N 3.43Å; I22-E25 PolarHBondContact O-N 3.48Å; M23-E25 VanDerWaalsContact C-N 3.34Å; M23-E25 PolarHBondContact O-N 3.46Å; E25-R28 IonicContact OE1-CZ 2.73Å; E25-R28 IonicContact OE1-NE 3.77Å; E25-R28 PolarHBondContact OE1-NE 3.06Å; E25-R28 IonicContact OE1-NH2 2.73Å; E25-R28 PolarHBondContact OE1-NH2 3.34Å; E25-R28 IonicContact OE2-CZ 2.89Å; E25-R28 IonicContact OE2-NE 3.79Å; E25-R28 IonicContact OE2-NH2 3.53Å; E25-R28 PolarHBondContact OE2-NH2 3.39Å; E25-K29 WeakPolarHBondContact O-CB 3.29Å; E25-K29 PolarHBondContact O-N 2.72Å |
| 26 | R | 89.6 | Confident | 87 | Confident | 164 Ų | 164 | 110 Ų | 110 | 62% | 0.619 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.3 | -40.4 | 173.2 | -72.5 | 172.6 | -179.5 | -161.1 | -1.8 | 112 | I22 M23 R30 | I22-R26 WeakPolarHBondContact O-CB 3.41Å; I22-R26 VanDerWaalsContact O-CG 3.28Å; I22-R26 WeakPolarHBondContact O-CG 3.49Å; I22-R26 PolarHBondContact O-N 3.47Å; M23-R26 PolarHBondContact O-N 2.91Å; R26-R30 PolarHBondContact O-N 2.97Å |
| 27 | E | 85.7 | Confident | 86.7 | Confident | 79 Ų | 79 | 107.8 Ų | 107.8 | 37% | 0.369 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.1 | -44.3 | 177.9 | -157.3 | 60.9 | -141.7 | 0 | 0 | 111.5 | M23 R24 K29 R30 Q31 | M23-E27 WeakPolarHBondContact O-CB 3.44Å; M23-E27 PolarHBondContact O-N 3.17Å; R24-E27 PolarHBondContact O-N 2.98Å; E27-K29 VanDerWaalsContact C-N 3.35Å; E27-K29 PolarHBondContact O-N 2.96Å; E27-R30 PolarHBondContact O-N 2.85Å; E27-R30 IonicContact OE1-CZ 3.98Å; E27-R30 IonicContact OE1-NH1 3.84Å; E27-R30 PolarHBondContact OE1-NH1 3Å; E27-R30 IonicContact OE2-CZ 2.76Å; E27-R30 IonicContact OE2-NH1 3.6Å; E27-R30 PolarHBondContact OE2-NH1 2.84Å; E27-R30 IonicContact OE2-NH2 3.57Å; E27-Q31 WeakPolarHBondContact O-CG 3.31Å; E27-Q31 PolarHBondContact O-N 3.32Å |
| 28 | R | 88.9 | Confident | 86.6 | Confident | 116 Ų | 116 | 111.5 Ų | 111.5 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 173 | -175 | -177.8 | 67.3 | 70.8 | -4.3 | 111.2 | R24 E25 Q31 E32 | R24-R28 WeakPolarHBondContact O-CB 3.21Å; R24-R28 PolarHBondContact O-N 3.35Å; E25-R28 IonicContact OE1-CZ 2.73Å; E25-R28 IonicContact OE1-NE 3.77Å; E25-R28 PolarHBondContact OE1-NE 3.06Å; E25-R28 IonicContact OE1-NH2 2.73Å; E25-R28 PolarHBondContact OE1-NH2 3.34Å; E25-R28 IonicContact OE2-CZ 2.89Å; E25-R28 IonicContact OE2-NE 3.79Å; E25-R28 IonicContact OE2-NH2 3.53Å; E25-R28 PolarHBondContact OE2-NH2 3.39Å; R28-Q31 PolarHBondContact O-N 3.24Å; R28-E32 IonicContact NH1-OE2 2.66Å; R28-E32 PolarHBondContact NH1-OE2 3.4Å; R28-E32 WeakPolarHBondContact O-CB 3.44Å; R28-E32 PolarHBondContact O-N 2.76Å |
| 29 | K | 86.8 | Confident | 86.1 | Confident | 129 Ų | 129 | 113 Ų | 113 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 176.5 | -169.6 | -175.8 | 176.3 | -162.2 | 0 | 111.9 | E25 E27 Q31 E32 E33 | E25-K29 WeakPolarHBondContact O-CB 3.29Å; E25-K29 PolarHBondContact O-N 2.72Å; E27-K29 VanDerWaalsContact C-N 3.35Å; E27-K29 PolarHBondContact O-N 2.96Å; K29-Q31 VanDerWaalsContact C-N 3.34Å; K29-Q31 PolarHBondContact O-N 2.66Å; K29-E32 PolarHBondContact O-N 3.28Å; K29-E33 VanDerWaalsContact O-CB 3.29Å; K29-E33 WeakPolarHBondContact O-CB 3.49Å; K29-E33 PolarHBondContact O-N 2.76Å |
| 30 | R | 86.9 | Confident | 85.6 | Confident | 132 Ų | 132 | 113 Ų | 113 | 50% | 0.498 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 174.9 | -172.9 | -170.2 | -61.4 | 133.4 | 7.6 | 111.2 | R26 E27 E33 E34 | R26-R30 PolarHBondContact O-N 2.97Å; E27-R30 PolarHBondContact O-N 2.85Å; E27-R30 IonicContact OE1-CZ 3.98Å; E27-R30 IonicContact OE1-NH1 3.84Å; E27-R30 PolarHBondContact OE1-NH1 3Å; E27-R30 IonicContact OE2-CZ 2.76Å; E27-R30 IonicContact OE2-NH1 3.6Å; E27-R30 PolarHBondContact OE2-NH1 2.84Å; E27-R30 IonicContact OE2-NH2 3.57Å; R30-E33 PolarHBondContact O-N 3.34Å; R30-E34 VanDerWaalsContact O-CB 3.23Å; R30-E34 WeakPolarHBondContact O-CB 3.37Å; R30-E34 PolarHBondContact O-N 2.95Å |
| 31 | Q | 84.6 | Confident | 85.2 | Confident | 111 Ų | 111 | 113.2 Ų | 113.2 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 178.4 | -71 | 170.4 | -5.3 | 0 | 0 | 112.2 | E27 R28 K29 E34 E35 | E27-Q31 WeakPolarHBondContact O-CG 3.31Å; E27-Q31 PolarHBondContact O-N 3.32Å; R28-Q31 PolarHBondContact O-N 3.24Å; K29-Q31 VanDerWaalsContact C-N 3.34Å; K29-Q31 PolarHBondContact O-N 2.66Å; Q31-E34 PolarHBondContact O-N 3.24Å; Q31-E35 VanDerWaalsContact O-CB 3.25Å; Q31-E35 WeakPolarHBondContact O-CB 3.44Å; Q31-E35 PolarHBondContact O-N 3.36Å |
| 32 | E | 75.1 | Confident | 84.7 | Confident | 107 Ų | 107 | 114.5 Ų | 114.5 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -40 | 174.6 | -169.3 | 177 | 161.4 | 0 | 0 | 111.6 | R28 K29 V36 | R28-E32 IonicContact NH1-OE2 2.66Å; R28-E32 PolarHBondContact NH1-OE2 3.4Å; R28-E32 WeakPolarHBondContact O-CB 3.44Å; R28-E32 PolarHBondContact O-N 2.76Å; K29-E32 PolarHBondContact O-N 3.28Å; E32-V36 WeakPolarHBondContact O-CB 3.46Å; E32-V36 VanDerWaalsContact O-CG2 3.24Å; E32-V36 WeakPolarHBondContact O-CG2 2.97Å; E32-V36 PolarHBondContact O-N 2.89Å; E32-V36 VanDerWaalsContact O-N 3.11Å |
| 33 | E | 72.5 | Confident | 84.3 | Confident | 126 Ų | 126 | 117.9 Ų | 117.9 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.2 | -41.7 | 176.4 | -168.1 | 162.3 | -169.7 | 0 | 0 | 112 | K29 R30 V36 D37 | K29-E33 VanDerWaalsContact O-CB 3.29Å; K29-E33 WeakPolarHBondContact O-CB 3.49Å; K29-E33 PolarHBondContact O-N 2.76Å; R30-E33 PolarHBondContact O-N 3.34Å; E33-V36 PolarHBondContact O-N 3.31Å; E33-D37 WeakPolarHBondContact O-CB 3.38Å; E33-D37 PolarHBondContact O-N 2.87Å |
| 34 | E | 78.1 | Confident | 83.8 | Confident | 126 Ų | 126 | 119.7 Ų | 119.7 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70 | -34.6 | 176.5 | -171.5 | 176.6 | 171.2 | 0 | 0 | 112.6 | R30 Q31 K38 | R30-E34 VanDerWaalsContact O-CB 3.23Å; R30-E34 WeakPolarHBondContact O-CB 3.37Å; R30-E34 PolarHBondContact O-N 2.95Å; Q31-E34 PolarHBondContact O-N 3.24Å; E34-K38 WeakPolarHBondContact O-CB 3.39Å; E34-K38 PolarHBondContact O-N 3.06Å |
| 35 | E | 79.8 | Confident | 83.7 | Confident | 142 Ų | 142 | 119.7 Ų | 119.7 | 66% | 0.664 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -71.1 | -37.1 | 173.4 | -175.2 | 168.6 | -160.4 | 0 | 0 | 112 | Q31 M39 | Q31-E35 VanDerWaalsContact O-CB 3.25Å; Q31-E35 WeakPolarHBondContact O-CB 3.44Å; Q31-E35 PolarHBondContact O-N 3.36Å; E35-M39 WeakPolarHBondContact O-CB 3.49Å; E35-M39 PolarHBondContact O-N 2.91Å |
| 36 | V | 80.3 | Confident | 83.3 | Confident | 82 Ų | 82 | 121.5 Ų | 121.5 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.4 | -44.3 | 173.4 | 166.8 | 0 | 0 | 0 | 0 | 111.6 | E32 E33 M39 M40 | E32-V36 WeakPolarHBondContact O-CB 3.46Å; E32-V36 VanDerWaalsContact O-CG2 3.24Å; E32-V36 WeakPolarHBondContact O-CG2 2.97Å; E32-V36 PolarHBondContact O-N 2.89Å; E32-V36 VanDerWaalsContact O-N 3.11Å; E33-V36 PolarHBondContact O-N 3.31Å; V36-M39 PolarHBondContact O-N 3.14Å; V36-M40 PolarHBondContact O-N 3.4Å |
| 37 | D | 81.8 | Confident | 82.5 | Confident | 108 Ų | 108 | 120.6 Ų | 120.6 | 58% | 0.578 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.4 | -44.9 | 177.4 | -165.6 | 46.1 | 0 | 0 | 0 | 111.1 | E33 M39 M40 E41 | E33-D37 WeakPolarHBondContact O-CB 3.38Å; E33-D37 PolarHBondContact O-N 2.87Å; D37-M39 VanDerWaalsContact C-N 3.34Å; D37-M39 PolarHBondContact O-N 3.46Å; D37-M40 CarbonylContact O-C 3.58Å; D37-M40 WeakPolarHBondContact O-CA 3.39Å; D37-M40 WeakPolarHBondContact O-CB 3.47Å; D37-M40 PolarHBondContact O-N 2.9Å; D37-E41 PolarHBondContact O-N 3.28Å |
| 38 | K | 89.6 | Confident | 82.1 | Confident | 139 Ų | 139 | 120.9 Ų | 120.9 | 60% | 0.604 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.5 | -38.2 | 172.7 | -178 | -179.1 | 177.3 | -175.1 | 0 | 113.2 | E34 M40 Q42 | E34-K38 WeakPolarHBondContact O-CB 3.39Å; E34-K38 PolarHBondContact O-N 3.06Å; K38-M40 VanDerWaalsContact C-N 3.32Å; K38-Q42 VanDerWaalsContact O-CB 3.26Å; K38-Q42 WeakPolarHBondContact O-CB 3.41Å; K38-Q42 PolarHBondContact O-N 3.28Å |
| 39 | M | 83.6 | Confident | 81.6 | Confident | 109 Ų | 109 | 121.5 Ų | 121.5 | 54% | 0.537 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.1 | -37.3 | 172.8 | -167.4 | -160.5 | -59.9 | 0 | 0 | 111.2 | E35 V36 D37 K43 | E35-M39 WeakPolarHBondContact O-CB 3.49Å; E35-M39 PolarHBondContact O-N 2.91Å; V36-M39 PolarHBondContact O-N 3.14Å; D37-M39 VanDerWaalsContact C-N 3.34Å; D37-M39 PolarHBondContact O-N 3.46Å; M39-K43 WeakPolarHBondContact O-CB 3.31Å; M39-K43 WeakPolarHBondContact O-CG 3.47Å; M39-K43 PolarHBondContact O-N 2.93Å |
| 40 | M | 79.9 | Confident | 81.3 | Confident | 119 Ų | 119 | 124 Ų | 124 | 59% | 0.586 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.4 | -46.3 | 177.4 | -162.2 | -176.8 | -48.8 | 0 | 0 | 111.6 | V36 D37 K38 K43 L44 | V36-M40 PolarHBondContact O-N 3.4Å; D37-M40 CarbonylContact O-C 3.58Å; D37-M40 WeakPolarHBondContact O-CA 3.39Å; D37-M40 WeakPolarHBondContact O-CB 3.47Å; D37-M40 PolarHBondContact O-N 2.9Å; K38-M40 VanDerWaalsContact C-N 3.32Å; M40-K43 PolarHBondContact O-N 3.36Å; M40-L44 WeakPolarHBondContact O-CB 3.49Å; M40-L44 PolarHBondContact O-N 3.43Å |
| 41 | E | 83.9 | Confident | 81.1 | Confident | 138 Ų | 138 | 125 Ų | 125 | 65% | 0.645 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.1 | -47.4 | 173.2 | -170.7 | -168.8 | -163.7 | 0 | 0 | 110.8 | D37 K43 L44 K45 | D37-E41 PolarHBondContact O-N 3.28Å; E41-K43 PolarHBondContact O-N 3.43Å; E41-L44 PolarHBondContact O-N 2.87Å; E41-K45 VanDerWaalsContact O-CB 3.25Å; E41-K45 WeakPolarHBondContact O-CB 3.5Å; E41-K45 PolarHBondContact O-N 2.98Å |
| 42 | Q | 83.5 | Confident | 81 | Confident | 123 Ų | 123 | 127 Ų | 127 | 58% | 0.575 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.7 | -42.6 | 177.8 | -177.4 | 174.1 | -17.5 | 0 | 0 | 111.9 | K38 K45 E46 | K38-Q42 VanDerWaalsContact O-CB 3.26Å; K38-Q42 WeakPolarHBondContact O-CB 3.41Å; K38-Q42 PolarHBondContact O-N 3.28Å; Q42-K45 PolarHBondContact O-N 3.04Å; Q42-E46 WeakPolarHBondContact O-CB 3.47Å; Q42-E46 PolarHBondContact O-N 3.22Å |
| 43 | K | 84.6 | Confident | 81 | Confident | 137 Ų | 137 | 125.9 Ų | 125.9 | 60% | 0.596 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.6 | -42.8 | 176.3 | -83 | -156.1 | 172.6 | -164.7 | 0 | 113.1 | M39 M40 E41 K45 E46 E47 | M39-K43 WeakPolarHBondContact O-CB 3.31Å; M39-K43 WeakPolarHBondContact O-CG 3.47Å; M39-K43 PolarHBondContact O-N 2.93Å; M40-K43 PolarHBondContact O-N 3.36Å; E41-K43 PolarHBondContact O-N 3.43Å; K43-K45 VanDerWaalsContact C-N 3.26Å; K43-K45 PolarHBondContact O-N 2.8Å; K43-E46 PolarHBondContact O-N 3.34Å; K43-E47 WeakPolarHBondContact O-CB 3.14Å; K43-E47 PolarHBondContact O-N 3.39Å |
| 44 | L | 83.5 | Confident | 81.5 | Confident | 116 Ų | 116 | 126.2 Ų | 126.2 | 61% | 0.607 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.5 | -37.9 | 178.3 | -169.4 | 152.7 | 0 | 0 | 0 | 110.5 | M40 E41 E48 | M40-L44 WeakPolarHBondContact O-CB 3.49Å; M40-L44 PolarHBondContact O-N 3.43Å; E41-L44 PolarHBondContact O-N 2.87Å; L44-E48 WeakPolarHBondContact O-CB 3.46Å; L44-E48 PolarHBondContact O-N 3.31Å |
| 45 | K | 87.7 | Confident | 81.3 | Confident | 139 Ų | 139 | 124.9 Ų | 124.9 | 60% | 0.604 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.9 | -42.3 | 174.6 | -170.3 | 172.9 | -175.5 | 172.5 | 0 | 113.1 | E41 Q42 K43 E48 E49 | E41-K45 VanDerWaalsContact O-CB 3.25Å; E41-K45 WeakPolarHBondContact O-CB 3.5Å; E41-K45 PolarHBondContact O-N 2.98Å; Q42-K45 PolarHBondContact O-N 3.04Å; K43-K45 VanDerWaalsContact C-N 3.26Å; K43-K45 PolarHBondContact O-N 2.8Å; K45-E48 PolarHBondContact O-N 3.11Å; K45-E49 WeakPolarHBondContact O-CB 3.33Å; K45-E49 PolarHBondContact O-N 3.47Å |
| 46 | E | 83.1 | Confident | 81 | Confident | 110 Ų | 110 | 123.4 Ų | 123.4 | 51% | 0.514 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.6 | -40.5 | 173.5 | -171.1 | -169.7 | 148.1 | 0 | 0 | 111.3 | Q42 K43 R50 | Q42-E46 WeakPolarHBondContact O-CB 3.47Å; Q42-E46 PolarHBondContact O-N 3.22Å; K43-E46 PolarHBondContact O-N 3.34Å; E46-R50 WeakPolarHBondContact O-CB 3.41Å; E46-R50 PolarHBondContact O-N 2.81Å |
| 47 | E | 73.1 | Confident | 80.6 | Confident | 144 Ų | 144 | 126 Ų | 126 | 67% | 0.673 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.9 | -41.9 | 175.3 | -172.6 | 176.4 | 172.7 | 0 | 0 | 111.6 | K43 K51 | K43-E47 WeakPolarHBondContact O-CB 3.14Å; K43-E47 PolarHBondContact O-N 3.39Å; E47-K51 WeakPolarHBondContact O-CB 3.49Å; E47-K51 PolarHBondContact O-N 2.97Å |
| 48 | E | 76.4 | Confident | 80.3 | Confident | 85 Ų | 85 | 127.1 Ų | 127.1 | 40% | 0.397 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.5 | -43.9 | 175.5 | -155.9 | -156.1 | 150.5 | 0 | 0 | 111.9 | L44 K45 K51 R52 | L44-E48 WeakPolarHBondContact O-CB 3.46Å; L44-E48 PolarHBondContact O-N 3.31Å; K45-E48 PolarHBondContact O-N 3.11Å; E48-K51 WeakPolarHBondContact O-CB 3.47Å; E48-K51 PolarHBondContact O-N 3.1Å; E48-R52 WeakPolarHBondContact O-CG 3.46Å; E48-R52 PolarHBondContact O-N 3.36Å; E48-R52 IonicContact OE1-CZ 3.63Å; E48-R52 IonicContact OE1-NE 3.67Å; E48-R52 PolarHBondContact OE1-NE 3.37Å; E48-R52 IonicContact OE1-NH2 3.5Å; E48-R52 PolarHBondContact OE1-NH2 3.26Å |
| 49 | E | 79.2 | Confident | 80 | Confident | 130 Ų | 130 | 127.6 Ų | 127.6 | 61% | 0.607 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.6 | -49.1 | 176.3 | -174.4 | 167.4 | -173.9 | 0 | 0 | 110.7 | K45 K51 R52 T53 | K45-E49 WeakPolarHBondContact O-CB 3.33Å; K45-E49 PolarHBondContact O-N 3.47Å; E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 PolarHBondContact O-N 2.94Å; E49-R52 PolarHBondContact O-N 2.91Å; E49-R52 VanDerWaalsContact O-N 3.11Å; E49-T53 PolarHBondContact O-N 3.04Å; E49-T53 PolarHBondContact O-OG1 3.42Å |
| 50 | R | 80.6 | Confident | 78.9 | Confident | 181 Ų | 181 | 128.6 Ų | 128.6 | 68% | 0.683 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -57.6 | -39 | 175 | -172.4 | -180 | -169.7 | 122.8 | 5.9 | 112.4 | E46 K54 | E46-R50 WeakPolarHBondContact O-CB 3.41Å; E46-R50 PolarHBondContact O-N 2.81Å; R50-K54 WeakPolarHBondContact O-CB 3.43Å; R50-K54 PolarHBondContact O-N 2.96Å; R50-K54 VanDerWaalsContact O-N 3.07Å |
| 51 | K | 81.9 | Confident | 78.9 | Confident | 152 Ų | 152 | 126 Ų | 126 | 66% | 0.661 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.5 | -42.9 | 175.7 | -177.9 | -177.1 | 176.4 | -174.3 | 0 | 111.7 | E47 E48 E49 K54 E55 | E47-K51 WeakPolarHBondContact O-CB 3.49Å; E47-K51 PolarHBondContact O-N 2.97Å; E48-K51 WeakPolarHBondContact O-CB 3.47Å; E48-K51 PolarHBondContact O-N 3.1Å; E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 PolarHBondContact O-N 2.94Å; K51-K54 PolarHBondContact O-N 3.29Å; K51-E55 PolarHBondContact O-N 3.22Å |
| 52 | R | 82.8 | Confident | 79.1 | Confident | 153 Ų | 153 | 124 Ų | 124 | 58% | 0.577 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.6 | -43.6 | 175.7 | -71.5 | 178.7 | -176 | -149.9 | 9.8 | 111.8 | E48 E49 K54 E55 I56 | E48-R52 WeakPolarHBondContact O-CG 3.46Å; E48-R52 PolarHBondContact O-N 3.36Å; E48-R52 IonicContact OE1-CZ 3.63Å; E48-R52 IonicContact OE1-NE 3.67Å; E48-R52 PolarHBondContact OE1-NE 3.37Å; E48-R52 IonicContact OE1-NH2 3.5Å; E48-R52 PolarHBondContact OE1-NH2 3.26Å; E49-R52 PolarHBondContact O-N 2.91Å; E49-R52 VanDerWaalsContact O-N 3.11Å; R52-K54 VanDerWaalsContact C-N 3.31Å; R52-K54 PolarHBondContact O-N 2.89Å; R52-E55 PolarHBondContact O-N 3.08Å; R52-I56 VanDerWaalsContact O-CG1 3.31Å; R52-I56 WeakPolarHBondContact O-CG1 3.41Å; R52-I56 PolarHBondContact O-N 3.14Å |
| 53 | T | 75.6 | Confident | 79.2 | Confident | 85 Ų | 85 | 122.9 Ų | 122.9 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.2 | -44 | 175.6 | -51.6 | 0 | 0 | 0 | 0 | 111 | E49 I56 E57 | E49-T53 PolarHBondContact O-N 3.04Å; E49-T53 PolarHBondContact O-OG1 3.42Å; T53-I56 PolarHBondContact O-N 3.09Å; T53-E57 WeakPolarHBondContact O-CB 3.4Å; T53-E57 PolarHBondContact O-N 3.17Å |
| 54 | K | 81.9 | Confident | 79.4 | Confident | 132 Ų | 132 | 123 Ų | 123 | 57% | 0.574 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.4 | -39.9 | 175.9 | -170.6 | -177.2 | 176.1 | -170.7 | 0 | 112.9 | R50 K51 R52 I56 E57 E58 | R50-K54 WeakPolarHBondContact O-CB 3.43Å; R50-K54 PolarHBondContact O-N 2.96Å; R50-K54 VanDerWaalsContact O-N 3.07Å; K51-K54 PolarHBondContact O-N 3.29Å; R52-K54 VanDerWaalsContact C-N 3.31Å; R52-K54 PolarHBondContact O-N 2.89Å; K54-I56 VanDerWaalsContact C-N 3.32Å; K54-I56 PolarHBondContact O-N 3.49Å; K54-E57 PolarHBondContact O-N 3.12Å; K54-E58 WeakPolarHBondContact O-CB 3.33Å; K54-E58 PolarHBondContact O-N 2.97Å |
| 55 | E | 74.2 | Confident | 79.7 | Confident | 99 Ų | 99 | 121 Ų | 121 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.1 | -40.7 | 174.4 | -173.6 | 177.3 | 171.9 | 0 | 0 | 110.9 | K51 R52 E58 R59 | K51-E55 PolarHBondContact O-N 3.22Å; R52-E55 PolarHBondContact O-N 3.08Å; E55-E58 PolarHBondContact O-N 3.22Å; E55-R59 HydrophobicContact CG-CG 4.28Å; E55-R59 WeakPolarHBondContact O-CB 3.46Å; E55-R59 WeakPolarHBondContact O-CG 3.48Å; E55-R59 PolarHBondContact O-N 3.25Å; E55-R59 IonicContact OE1-CZ 2.76Å; E55-R59 IonicContact OE1-NE 3.52Å; E55-R59 PolarHBondContact OE1-NE 3.09Å; E55-R59 IonicContact OE1-NH2 3.85Å; E55-R59 PolarHBondContact OE1-NH2 3.28Å |
| 56 | I | 73.2 | Confident | 80 | Confident | 111 Ų | 111 | 118.8 Ų | 118.8 | 57% | 0.569 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63 | -44.6 | 176.4 | -66.8 | 162.8 | 0 | 0 | 0 | 110.9 | R52 T53 K54 R59 M60 | R52-I56 VanDerWaalsContact O-CG1 3.31Å; R52-I56 WeakPolarHBondContact O-CG1 3.41Å; R52-I56 PolarHBondContact O-N 3.14Å; T53-I56 PolarHBondContact O-N 3.09Å; K54-I56 VanDerWaalsContact C-N 3.32Å; K54-I56 PolarHBondContact O-N 3.49Å; I56-R59 WeakPolarHBondContact O-CB 3.3Å; I56-R59 PolarHBondContact O-N 3.34Å; I56-M60 VanDerWaalsContact O-CG 3.31Å; I56-M60 WeakPolarHBondContact O-CG 3.29Å; I56-M60 PolarHBondContact O-N 3.47Å |
| 57 | E | 72.5 | Confident | 80.6 | Confident | 137 Ų | 137 | 118.9 Ų | 118.9 | 64% | 0.64 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.5 | -47.1 | 175.4 | -175.7 | 178.7 | -157 | 0 | 0 | 112 | T53 K54 R59 M60 S61 | T53-E57 WeakPolarHBondContact O-CB 3.4Å; T53-E57 PolarHBondContact O-N 3.17Å; K54-E57 PolarHBondContact O-N 3.12Å; E57-R59 VanDerWaalsContact C-N 3.34Å; E57-R59 PolarHBondContact O-N 3.33Å; E57-M60 PolarHBondContact O-N 3.02Å; E57-S61 PolarHBondContact O-N 3.2Å |
| 58 | E | 76.3 | Confident | 81.7 | Confident | 131 Ų | 131 | 118.1 Ų | 118.1 | 61% | 0.612 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.9 | -37.8 | 177.2 | -169 | 175.5 | 149 | 0 | 0 | 111.9 | K54 E55 L62 | K54-E58 WeakPolarHBondContact O-CB 3.33Å; K54-E58 PolarHBondContact O-N 2.97Å; E55-E58 PolarHBondContact O-N 3.22Å; E58-L62 VanDerWaalsContact O-CB 3.28Å; E58-L62 WeakPolarHBondContact O-CB 3.48Å; E58-L62 PolarHBondContact O-N 3.39Å |
| 59 | R | 82.5 | Confident | 82.6 | Confident | 148 Ų | 148 | 117.6 Ų | 117.6 | 56% | 0.558 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -45.9 | 173.4 | -69.6 | -79 | -178.1 | 168.2 | 3.6 | 111.7 | E55 I56 E57 L62 E63 | E55-R59 HydrophobicContact CG-CG 4.28Å; E55-R59 WeakPolarHBondContact O-CB 3.46Å; E55-R59 WeakPolarHBondContact O-CG 3.48Å; E55-R59 PolarHBondContact O-N 3.25Å; E55-R59 IonicContact OE1-CZ 2.76Å; E55-R59 IonicContact OE1-NE 3.52Å; E55-R59 PolarHBondContact OE1-NE 3.09Å; E55-R59 IonicContact OE1-NH2 3.85Å; E55-R59 PolarHBondContact OE1-NH2 3.28Å; I56-R59 WeakPolarHBondContact O-CB 3.3Å; I56-R59 PolarHBondContact O-N 3.34Å; E57-R59 VanDerWaalsContact C-N 3.34Å; E57-R59 PolarHBondContact O-N 3.33Å; R59-L62 PolarHBondContact O-N 3.4Å; R59-E63 PolarHBondContact O-N 3.32Å |
| 60 | M | 60 | Low | 83.4 | Confident | 131 Ų | 131 | 117.6 Ų | 117.6 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.2 | -43.5 | 179.3 | -68.3 | -61.5 | -63 | 0 | 0 | 111.8 | I56 E57 L62 E63 E64 | I56-M60 VanDerWaalsContact O-CG 3.31Å; I56-M60 WeakPolarHBondContact O-CG 3.29Å; I56-M60 PolarHBondContact O-N 3.47Å; E57-M60 PolarHBondContact O-N 3.02Å; M60-L62 PolarHBondContact O-N 3.12Å; M60-E63 WeakPolarHBondContact O-CB 3.41Å; M60-E63 PolarHBondContact O-N 3.04Å; M60-E64 PolarHBondContact O-N 2.93Å |
| 61 | S | 81.3 | Confident | 84.2 | Confident | 65 Ų | 65 | 113.6 Ų | 113.6 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 176.8 | -175.4 | 0 | 0 | 0 | 0 | 112.8 | E57 E63 T65 | E57-S61 PolarHBondContact O-N 3.2Å; S61-E63 VanDerWaalsContact C-N 3.34Å; S61-T65 PolarHBondContact O-N 2.98Å; S61-T65 VanDerWaalsContact O-N 3.09Å; S61-T65 PolarHBondContact O-OG1 3.45Å |
| 62 | L | 86.9 | Confident | 85 | Confident | 95 Ų | 95 | 112.4 Ų | 112.4 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.8 | -33.7 | 172.1 | -171.4 | 69.4 | 0 | 0 | 0 | 112 | E58 R59 M60 K66 | E58-L62 VanDerWaalsContact O-CB 3.28Å; E58-L62 WeakPolarHBondContact O-CB 3.48Å; E58-L62 PolarHBondContact O-N 3.39Å; R59-L62 PolarHBondContact O-N 3.4Å; M60-L62 PolarHBondContact O-N 3.12Å; L62-K66 WeakPolarHBondContact O-CE 3.27Å; L62-K66 WeakPolarHBondContact O-CG 3.37Å; L62-K66 PolarHBondContact O-N 3.16Å; L62-K66 VanDerWaalsContact O-N 3.1Å |
| 63 | E | 84.9 | Confident | 85.7 | Confident | 100 Ų | 100 | 110.8 Ų | 110.8 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 174.5 | -142.2 | 64.6 | -106.6 | 0 | 0 | 111.5 | R59 M60 S61 T65 K66 E67 | R59-E63 PolarHBondContact O-N 3.32Å; M60-E63 WeakPolarHBondContact O-CB 3.41Å; M60-E63 PolarHBondContact O-N 3.04Å; S61-E63 VanDerWaalsContact C-N 3.34Å; E63-T65 VanDerWaalsContact C-N 3.31Å; E63-T65 PolarHBondContact O-N 2.78Å; E63-K66 WeakPolarHBondContact O-CB 3.45Å; E63-K66 PolarHBondContact O-N 2.94Å; E63-K66 VanDerWaalsContact O-N 3.13Å; E63-K66 WeakPolarHBondContact OE1-CE 3.47Å; E63-K66 IonicContact OE1-NZ 2.96Å; E63-K66 PolarHBondContact OE1-NZ 3.36Å; E63-K66 IonicContact OE2-NZ 3.27Å; E63-K66 PolarHBondContact OE2-NZ 2.85Å; E63-E67 PolarHBondContact O-N 2.85Å |
| 64 | E | 89.3 | Confident | 86.7 | Confident | 140 Ų | 140 | 113.5 Ų | 113.5 | 65% | 0.654 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -57.5 | -43.2 | 174.1 | -177.1 | -179.5 | -168.5 | 0 | 0 | 111.8 | M60 K66 E67 Q68 | M60-E64 PolarHBondContact O-N 2.93Å; E64-K66 VanDerWaalsContact C-N 3.34Å; E64-K66 PolarHBondContact O-N 3.14Å; E64-E67 PolarHBondContact O-N 2.93Å; E64-Q68 PolarHBondContact O-N 3.11Å |
| 65 | T | 91 | Very high | 87.5 | Confident | 72 Ų | 72 | 113.7 Ų | 113.7 | 44% | 0.442 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 176.7 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | S61 E63 Q68 V69 | S61-T65 PolarHBondContact O-N 2.98Å; S61-T65 VanDerWaalsContact O-N 3.09Å; S61-T65 PolarHBondContact O-OG1 3.45Å; E63-T65 VanDerWaalsContact C-N 3.31Å; E63-T65 PolarHBondContact O-N 2.78Å; T65-Q68 PolarHBondContact O-N 2.88Å; T65-V69 WeakPolarHBondContact O-CG2 3.16Å; T65-V69 PolarHBondContact O-N 3.44Å |
| 66 | K | 93.9 | Very high | 88.6 | Confident | 93 Ų | 93 | 113.8 Ų | 113.8 | 40% | 0.404 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 173.9 | -72.6 | 175.8 | -120.6 | 160.6 | 0 | 111.9 | L62 E63 E64 Q68 V69 M70 | L62-K66 WeakPolarHBondContact O-CE 3.27Å; L62-K66 WeakPolarHBondContact O-CG 3.37Å; L62-K66 PolarHBondContact O-N 3.16Å; L62-K66 VanDerWaalsContact O-N 3.1Å; E63-K66 WeakPolarHBondContact O-CB 3.45Å; E63-K66 PolarHBondContact O-N 2.94Å; E63-K66 VanDerWaalsContact O-N 3.13Å; E63-K66 WeakPolarHBondContact OE1-CE 3.47Å; E63-K66 IonicContact OE1-NZ 2.96Å; E63-K66 PolarHBondContact OE1-NZ 3.36Å; E63-K66 IonicContact OE2-NZ 3.27Å; E63-K66 PolarHBondContact OE2-NZ 2.85Å; E64-K66 VanDerWaalsContact C-N 3.34Å; E64-K66 PolarHBondContact O-N 3.14Å; K66-Q68 VanDerWaalsContact C-N 3.3Å; K66-Q68 PolarHBondContact O-N 3.47Å; K66-V69 PolarHBondContact O-N 3.25Å; K66-M70 PolarHBondContact O-N 3.49Å |
| 67 | E | 94.3 | Very high | 89.8 | Confident | 112 Ų | 112 | 114.1 Ų | 114.1 | 52% | 0.523 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.7 | -163.8 | -156.6 | 128.4 | 0 | 0 | 110.7 | E63 E64 V69 M70 K71 | E63-E67 PolarHBondContact O-N 2.85Å; E64-E67 PolarHBondContact O-N 2.93Å; E67-V69 VanDerWaalsContact C-N 3.33Å; E67-V69 PolarHBondContact O-N 3.41Å; E67-M70 PolarHBondContact O-N 2.93Å; E67-K71 WeakPolarHBondContact O-CB 3.46Å; E67-K71 PolarHBondContact O-N 3.06Å; E67-K71 IonicContact OE1-NZ 3.97Å; E67-K71 PolarHBondContact OE1-NZ 3.26Å |
| 68 | Q | 96.3 | Very high | 91 | Very high | 128 Ų | 128 | 109.1 Ų | 109.1 | 60% | 0.598 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61 | -40.3 | 177 | -167.6 | 178.8 | 37.3 | 0 | 0 | 112.3 | E64 T65 K66 M72 | E64-Q68 PolarHBondContact O-N 3.11Å; T65-Q68 PolarHBondContact O-N 2.88Å; K66-Q68 VanDerWaalsContact C-N 3.3Å; K66-Q68 PolarHBondContact O-N 3.47Å; Q68-M72 WeakPolarHBondContact O-CG 3.38Å; Q68-M72 PolarHBondContact O-N 3.27Å; Q68-M72 VanDerWaalsContact O-N 3.11Å |
| 69 | V | 95.6 | Very high | 92.1 | Very high | 74 Ų | 74 | 108 Ų | 108 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.8 | -52.8 | 175 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | T65 K66 E67 K71 M72 E73 | T65-V69 WeakPolarHBondContact O-CG2 3.16Å; T65-V69 PolarHBondContact O-N 3.44Å; K66-V69 PolarHBondContact O-N 3.25Å; E67-V69 VanDerWaalsContact C-N 3.33Å; E67-V69 PolarHBondContact O-N 3.41Å; V69-K71 VanDerWaalsContact C-N 3.27Å; V69-K71 PolarHBondContact O-N 3.13Å; V69-M72 WeakPolarHBondContact O-CA 3.4Å; V69-M72 WeakPolarHBondContact O-CB 3.35Å; V69-M72 PolarHBondContact O-N 3.07Å; V69-E73 HydrophobicContact CG1-CG 4.35Å; V69-E73 WeakPolarHBondContact O-CG 3.28Å; V69-E73 PolarHBondContact O-N 3.37Å |
| 70 | M | 96.9 | Very high | 92.9 | Very high | 130 Ų | 130 | 106.5 Ų | 106.5 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -56.9 | -40.9 | 178.9 | -71.2 | 179.8 | 67.1 | 0 | 0 | 112.2 | K66 E67 M72 E73 E74 | K66-M70 PolarHBondContact O-N 3.49Å; E67-M70 PolarHBondContact O-N 2.93Å; M70-M72 VanDerWaalsContact C-N 3.27Å; M70-M72 PolarHBondContact O-N 3.18Å; M70-E73 PolarHBondContact O-N 2.92Å; M70-E74 WeakPolarHBondContact O-CB 3.45Å; M70-E74 PolarHBondContact O-N 2.88Å |
| 71 | K | 97.7 | Very high | 94.7 | Very high | 98 Ų | 98 | 105.1 Ų | 105.1 | 43% | 0.426 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.7 | -21.2 | 177 | -170.4 | 178.9 | -125.8 | 145.4 | 0 | 113.4 | E67 V69 K75 | E67-K71 WeakPolarHBondContact O-CB 3.46Å; E67-K71 PolarHBondContact O-N 3.06Å; E67-K71 IonicContact OE1-NZ 3.97Å; E67-K71 PolarHBondContact OE1-NZ 3.26Å; V69-K71 VanDerWaalsContact C-N 3.27Å; V69-K71 PolarHBondContact O-N 3.13Å; K71-K75 WeakPolarHBondContact O-CD 3.47Å; K71-K75 VanDerWaalsContact O-CG 3.27Å; K71-K75 WeakPolarHBondContact O-CG 3.4Å |
| 72 | M | 97.8 | Very high | 95.5 | Very high | 127 Ų | 127 | 107.6 Ų | 107.6 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -86 | -35.5 | 170.1 | -74.8 | -176 | 62.3 | 0 | 0 | 112.1 | Q68 V69 M70 K75 L76 | Q68-M72 WeakPolarHBondContact O-CG 3.38Å; Q68-M72 PolarHBondContact O-N 3.27Å; Q68-M72 VanDerWaalsContact O-N 3.11Å; V69-M72 WeakPolarHBondContact O-CA 3.4Å; V69-M72 WeakPolarHBondContact O-CB 3.35Å; V69-M72 PolarHBondContact O-N 3.07Å; M70-M72 VanDerWaalsContact C-N 3.27Å; M70-M72 PolarHBondContact O-N 3.18Å; M72-K75 PolarHBondContact O-N 3.43Å; M72-L76 WeakPolarHBondContact O-CB 3.43Å; M72-L76 PolarHBondContact O-N 3.48Å |
| 73 | E | 96.8 | Very high | 96 | Very high | 118 Ų | 118 | 110.4 Ų | 110.4 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.5 | -45 | 173.8 | -68.6 | 176.3 | 149.9 | 0 | 0 | 111.5 | V69 M70 K75 L76 Q77 | V69-E73 HydrophobicContact CG1-CG 4.35Å; V69-E73 WeakPolarHBondContact O-CG 3.28Å; V69-E73 PolarHBondContact O-N 3.37Å; M70-E73 PolarHBondContact O-N 2.92Å; E73-K75 PolarHBondContact O-N 2.79Å; E73-L76 WeakPolarHBondContact O-CB 3.5Å; E73-L76 PolarHBondContact O-N 3.42Å; E73-Q77 PolarHBondContact O-N 3.18Å |
| 74 | E | 97.6 | Very high | 96.7 | Very high | 143 Ų | 143 | 110.8 Ų | 110.8 | 67% | 0.668 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.2 | -47.4 | 174.2 | -177.6 | -176.3 | -145.5 | 0 | 0 | 111.8 | M70 L76 Q77 G78 | M70-E74 WeakPolarHBondContact O-CB 3.45Å; M70-E74 PolarHBondContact O-N 2.88Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 3.36Å; E74-Q77 PolarHBondContact O-N 3.38Å; E74-G78 PolarHBondContact O-N 2.8Å |
| 75 | K | 98.2 | Very high | 97.1 | Very high | 135 Ų | 135 | 110.7 Ų | 110.7 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.9 | -39.4 | 175.2 | -76.2 | 176.3 | -178.9 | -177.7 | 0 | 112.5 | K71 M72 E73 G78 L79 | K71-K75 WeakPolarHBondContact O-CD 3.47Å; K71-K75 VanDerWaalsContact O-CG 3.27Å; K71-K75 WeakPolarHBondContact O-CG 3.4Å; M72-K75 PolarHBondContact O-N 3.43Å; E73-K75 PolarHBondContact O-N 2.79Å; K75-G78 PolarHBondContact O-N 3.11Å; K75-L79 WeakPolarHBondContact O-CB 3.31Å; K75-L79 WeakPolarHBondContact O-CG 3.17Å; K75-L79 PolarHBondContact O-N 3.24Å |
| 76 | L | 98.4 | Very high | 97.5 | Very high | 102 Ų | 102 | 112.5 Ų | 112.5 | 53% | 0.534 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 177.4 | 178.3 | 60.8 | 0 | 0 | 0 | 111.3 | M72 E73 E74 Q80 | M72-L76 WeakPolarHBondContact O-CB 3.43Å; M72-L76 PolarHBondContact O-N 3.48Å; E73-L76 WeakPolarHBondContact O-CB 3.5Å; E73-L76 PolarHBondContact O-N 3.42Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 3.36Å; L76-Q80 VanDerWaalsContact O-CG 3.3Å; L76-Q80 WeakPolarHBondContact O-CG 3.49Å; L76-Q80 PolarHBondContact O-N 3.18Å; L76-Q80 VanDerWaalsContact O-N 3.12Å |
| 77 | Q | 98.3 | Very high | 97.7 | Very high | 117 Ų | 117 | 113.9 Ų | 113.9 | 55% | 0.547 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.9 | -50.6 | 172.9 | -178.2 | 179.9 | -28.7 | 0 | 0 | 111.1 | E73 E74 L79 Q80 E81 | E73-Q77 PolarHBondContact O-N 3.18Å; E74-Q77 PolarHBondContact O-N 3.38Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 3.34Å; Q77-Q80 WeakPolarHBondContact O-CA 3.31Å; Q77-Q80 WeakPolarHBondContact O-CB 3.08Å; Q77-Q80 PolarHBondContact O-N 3.2Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.42Å; Q77-E81 PolarHBondContact NE2-OE1 2.91Å; Q77-E81 PolarHBondContact O-N 3.11Å |
| 78 | G | 98 | Very high | 97.9 | Very high | 32 Ų | 32 | 112.4 Ų | 112.4 | 33% | 0.33 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -55.5 | -45 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E74 K75 Q80 E81 E82 | E74-G78 PolarHBondContact O-N 2.8Å; K75-G78 PolarHBondContact O-N 3.11Å; G78-Q80 VanDerWaalsContact C-N 3.32Å; G78-Q80 PolarHBondContact O-N 3.41Å; G78-E81 PolarHBondContact O-N 3.47Å; G78-E82 PolarHBondContact O-N 3.24Å |
| 79 | L | 98.5 | Very high | 98 | Very high | 108 Ų | 108 | 112 Ų | 112 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.4 | -31.2 | 175.4 | -71.7 | 170.5 | 0 | 0 | 0 | 113.3 | K75 Q77 K83 | K75-L79 WeakPolarHBondContact O-CB 3.31Å; K75-L79 WeakPolarHBondContact O-CG 3.17Å; K75-L79 PolarHBondContact O-N 3.24Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 3.34Å; L79-K83 WeakPolarHBondContact O-CB 3.36Å; L79-K83 PolarHBondContact O-N 3.26Å |
| 80 | Q | 98.3 | Very high | 98.1 | Very high | 116 Ų | 116 | 113.2 Ų | 113.2 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.6 | -37.9 | 172.7 | -74.5 | 179.4 | 45.5 | 0 | 0 | 112 | L76 Q77 G78 H84 | L76-Q80 VanDerWaalsContact O-CG 3.3Å; L76-Q80 WeakPolarHBondContact O-CG 3.49Å; L76-Q80 PolarHBondContact O-N 3.18Å; L76-Q80 VanDerWaalsContact O-N 3.12Å; Q77-Q80 WeakPolarHBondContact O-CA 3.31Å; Q77-Q80 WeakPolarHBondContact O-CB 3.08Å; Q77-Q80 PolarHBondContact O-N 3.2Å; G78-Q80 VanDerWaalsContact C-N 3.32Å; G78-Q80 PolarHBondContact O-N 3.41Å; Q80-H84 WeakPolarHBondContact O-CB 3.46Å; Q80-H84 PolarHBondContact O-N 3.25Å |
| 81 | E | 98.1 | Very high | 98.2 | Very high | 102 Ų | 102 | 113.5 Ų | 113.5 | 48% | 0.477 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 175.9 | -70.2 | -179.6 | -157.1 | 0 | 0 | 112 | Q77 G78 H84 Q85 | Q77-E81 WeakPolarHBondContact CG-OE1 3.42Å; Q77-E81 PolarHBondContact NE2-OE1 2.91Å; Q77-E81 PolarHBondContact O-N 3.11Å; G78-E81 PolarHBondContact O-N 3.47Å; E81-H84 CarbonylContact O-C 3.58Å; E81-H84 WeakPolarHBondContact O-CA 3.22Å; E81-H84 WeakPolarHBondContact O-CB 3.41Å; E81-H84 PolarHBondContact O-N 3Å; E81-H84 VanDerWaalsContact O-N 3.11Å; E81-Q85 PolarHBondContact O-N 3.42Å |
| 82 | E | 97.9 | Very high | 98.2 | Very high | 117 Ų | 117 | 114.8 Ų | 114.8 | 55% | 0.547 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 171.4 | -74.4 | -173.8 | 162.6 | 0 | 0 | 111.4 | G78 H84 Q85 L86 | G78-E82 PolarHBondContact O-N 3.24Å; E82-H84 PolarHBondContact O-N 2.96Å; E82-Q85 PolarHBondContact O-N 3.36Å; E82-Q85 VanDerWaalsContact O-N 3.11Å; E82-L86 WeakPolarHBondContact O-CG 3.41Å; E82-L86 PolarHBondContact O-N 2.91Å |
| 83 | K | 98.4 | Very high | 98.3 | Very high | 155 Ų | 155 | 112.6 Ų | 112.6 | 67% | 0.674 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.6 | -28.4 | 175.5 | 177.1 | -95.4 | -176.9 | 170.5 | 0 | 112.4 | L79 F87 | L79-K83 WeakPolarHBondContact O-CB 3.36Å; L79-K83 PolarHBondContact O-N 3.26Å; K83-F87 WeakPolarHBondContact O-CB 3.48Å; K83-F87 PolarHBondContact O-N 2.94Å |
| 84 | H | 98.6 | Very high | 98.3 | Very high | 108 Ų | 108 | 112 Ų | 112 | 50% | 0.5 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.6 | -44.7 | 171.2 | -172.9 | 74.1 | 0 | 0 | 0 | 111.9 | Q80 E81 E82 L86 F87 L88 | Q80-H84 WeakPolarHBondContact O-CB 3.46Å; Q80-H84 PolarHBondContact O-N 3.25Å; E81-H84 CarbonylContact O-C 3.58Å; E81-H84 WeakPolarHBondContact O-CA 3.22Å; E81-H84 WeakPolarHBondContact O-CB 3.41Å; E81-H84 PolarHBondContact O-N 3Å; E81-H84 VanDerWaalsContact O-N 3.11Å; E82-H84 PolarHBondContact O-N 2.96Å; H84-L86 PolarHBondContact O-N 2.89Å; H84-F87 WeakPolarHBondContact O-CB 3.38Å; H84-F87 PolarHBondContact O-N 3.5Å; H84-L88 WeakPolarHBondContact O-CG 3.36Å; H84-L88 PolarHBondContact O-N 3.13Å |
| 85 | Q | 98.6 | Very high | 98.3 | Very high | 138 Ų | 138 | 111.5 Ų | 111.5 | 65% | 0.645 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.4 | -46.8 | 174.9 | -73.9 | -163.6 | 40.8 | 0 | 0 | 112 | E81 E82 F87 L88 Q89 | E81-Q85 PolarHBondContact O-N 3.42Å; E82-Q85 PolarHBondContact O-N 3.36Å; E82-Q85 VanDerWaalsContact O-N 3.11Å; Q85-F87 VanDerWaalsContact C-N 3.29Å; Q85-F87 PolarHBondContact O-N 3.46Å; Q85-L88 CarbonylContact O-C 3.59Å; Q85-L88 WeakPolarHBondContact O-CB 3.47Å; Q85-L88 PolarHBondContact O-N 3.44Å; Q85-L88 VanDerWaalsContact O-N 3.1Å; Q85-Q89 WeakPolarHBondContact O-CB 3.36Å; Q85-Q89 PolarHBondContact O-N 2.9Å |
| 86 | L | 98.6 | Very high | 98.2 | Very high | 109 Ų | 109 | 109.8 Ų | 109.8 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.4 | -36.9 | 177.7 | -69.3 | 172.2 | 0 | 0 | 0 | 111.9 | E82 H84 Q89 L90 | E82-L86 WeakPolarHBondContact O-CG 3.41Å; E82-L86 PolarHBondContact O-N 2.91Å; H84-L86 PolarHBondContact O-N 2.89Å; L86-Q89 PolarHBondContact O-N 3.5Å; L86-L90 WeakPolarHBondContact O-CB 3.26Å; L86-L90 PolarHBondContact O-N 3.02Å |
| 87 | F | 98.7 | Very high | 98 | Very high | 123 Ų | 123 | 109 Ų | 109 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 172.9 | 178.3 | -98.4 | 0 | 0 | 0 | 112.4 | K83 H84 Q85 K91 | K83-F87 WeakPolarHBondContact O-CB 3.48Å; K83-F87 PolarHBondContact O-N 2.94Å; H84-F87 WeakPolarHBondContact O-CB 3.38Å; H84-F87 PolarHBondContact O-N 3.5Å; Q85-F87 VanDerWaalsContact C-N 3.29Å; Q85-F87 PolarHBondContact O-N 3.46Å; F87-K91 VanDerWaalsContact O-CB 3.31Å; F87-K91 WeakPolarHBondContact O-CB 3.38Å; F87-K91 PolarHBondContact O-N 3.1Å |
| 88 | L | 98.7 | Very high | 97.9 | Very high | 81 Ų | 81 | 106.1 Ų | 106.1 | 42% | 0.424 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 173.9 | -67.3 | 179.9 | 0 | 0 | 0 | 112.2 | H84 Q85 K91 K92 | H84-L88 WeakPolarHBondContact O-CG 3.36Å; H84-L88 PolarHBondContact O-N 3.13Å; Q85-L88 CarbonylContact O-C 3.59Å; Q85-L88 WeakPolarHBondContact O-CB 3.47Å; Q85-L88 PolarHBondContact O-N 3.44Å; Q85-L88 VanDerWaalsContact O-N 3.1Å; L88-K91 PolarHBondContact O-N 3.38Å; L88-K92 PolarHBondContact O-N 2.96Å |
| 89 | Q | 98.3 | Very high | 97.7 | Very high | 120 Ų | 120 | 111.9 Ų | 111.9 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.2 | -46.9 | 176 | -169.8 | -178.2 | 25.5 | 0 | 0 | 111.1 | Q85 L86 K91 K92 V93 | Q85-Q89 WeakPolarHBondContact O-CB 3.36Å; Q85-Q89 PolarHBondContact O-N 2.9Å; L86-Q89 PolarHBondContact O-N 3.5Å; Q89-K91 VanDerWaalsContact C-N 3.35Å; Q89-K91 PolarHBondContact O-N 3.37Å; Q89-K92 WeakPolarHBondContact O-CB 3.45Å; Q89-K92 PolarHBondContact O-N 3.09Å; Q89-K92 VanDerWaalsContact O-N 3.14Å; Q89-V93 WeakPolarHBondContact O-CG2 3.43Å; Q89-V93 PolarHBondContact O-N 3Å |
| 90 | L | 98.3 | Very high | 97.6 | Very high | 99 Ų | 99 | 112.4 Ų | 112.4 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 173.8 | 178.5 | 60.7 | 0 | 0 | 0 | 111.5 | L86 K92 V93 L94 | L86-L90 WeakPolarHBondContact O-CB 3.26Å; L86-L90 PolarHBondContact O-N 3.02Å; L90-K92 VanDerWaalsContact C-N 3.28Å; L90-K92 PolarHBondContact O-N 3.17Å; L90-V93 PolarHBondContact O-N 2.92Å; L90-L94 HydrophobicContact CD1-CD1 4.12Å; L90-L94 HydrophobicContact CD1-CG 4.11Å; L90-L94 HydrophobicContact CG-CD1 4.01Å; L90-L94 HydrophobicContact CG-CG 4.43Å; L90-L94 WeakPolarHBondContact O-CB 3.36Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.43Å; L90-L94 PolarHBondContact O-N 3.49Å |
| 91 | K | 98.4 | Very high | 97.3 | Very high | 136 Ų | 136 | 113.2 Ų | 113.2 | 59% | 0.591 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.1 | -37.8 | 174.9 | -178.2 | -178 | 176.8 | -176 | 0 | 112.2 | F87 L88 Q89 H95 | F87-K91 VanDerWaalsContact O-CB 3.31Å; F87-K91 WeakPolarHBondContact O-CB 3.38Å; F87-K91 PolarHBondContact O-N 3.1Å; L88-K91 PolarHBondContact O-N 3.38Å; Q89-K91 VanDerWaalsContact C-N 3.35Å; Q89-K91 PolarHBondContact O-N 3.37Å; K91-H95 PolarHBondContact O-N 2.96Å |
| 92 | K | 98.3 | Very high | 97 | Very high | 124 Ų | 124 | 116 Ų | 116 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -51.7 | 174.4 | -170.2 | -163 | 176.4 | -133 | 0 | 111.3 | L88 Q89 L90 L94 H95 E96 | L88-K92 PolarHBondContact O-N 2.96Å; Q89-K92 WeakPolarHBondContact O-CB 3.45Å; Q89-K92 PolarHBondContact O-N 3.09Å; Q89-K92 VanDerWaalsContact O-N 3.14Å; L90-K92 VanDerWaalsContact C-N 3.28Å; L90-K92 PolarHBondContact O-N 3.17Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 3.29Å; K92-H95 WeakPolarHBondContact O-CB 3.25Å; K92-H95 PolarHBondContact O-N 3.48Å; K92-E96 WeakPolarHBondContact CE-OE1 3.24Å; K92-E96 IonicContact NZ-OE1 3.68Å; K92-E96 PolarHBondContact NZ-OE1 3.45Å; K92-E96 IonicContact NZ-OE2 2.76Å; K92-E96 PolarHBondContact NZ-OE2 3.31Å; K92-E96 PolarHBondContact O-N 2.96Å |
| 93 | V | 98.2 | Very high | 96.6 | Very high | 81 Ų | 81 | 116.5 Ų | 116.5 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.3 | -43.9 | -179.3 | 172.3 | 0 | 0 | 0 | 0 | 111 | Q89 L90 H95 E96 E97 | Q89-V93 WeakPolarHBondContact O-CG2 3.43Å; Q89-V93 PolarHBondContact O-N 3Å; L90-V93 PolarHBondContact O-N 2.92Å; V93-H95 VanDerWaalsContact C-N 3.28Å; V93-H95 PolarHBondContact O-N 3.4Å; V93-E96 PolarHBondContact O-N 3.38Å; V93-E97 VanDerWaalsContact O-CB 3.29Å; V93-E97 WeakPolarHBondContact O-CB 3.46Å; V93-E97 PolarHBondContact O-N 2.95Å |
| 94 | L | 97.9 | Very high | 95.8 | Very high | 105 Ų | 105 | 113 Ų | 113 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -32.5 | 175.5 | -70.6 | 172.8 | 0 | 0 | 0 | 112.9 | L90 K92 E98 | L90-L94 HydrophobicContact CD1-CD1 4.12Å; L90-L94 HydrophobicContact CD1-CG 4.11Å; L90-L94 HydrophobicContact CG-CD1 4.01Å; L90-L94 HydrophobicContact CG-CG 4.43Å; L90-L94 WeakPolarHBondContact O-CB 3.36Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.43Å; L90-L94 PolarHBondContact O-N 3.49Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 3.29Å; L94-E98 WeakPolarHBondContact O-CB 3.25Å; L94-E98 PolarHBondContact O-N 3.35Å |
| 95 | H | 97.4 | Very high | 95.1 | Very high | 133 Ų | 133 | 113.4 Ų | 113.4 | 62% | 0.616 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -74.3 | -39.4 | 175.9 | -172.6 | 82.1 | 0 | 0 | 0 | 112.6 | K91 K92 V93 K99 | K91-H95 PolarHBondContact O-N 2.96Å; K92-H95 WeakPolarHBondContact O-CB 3.25Å; K92-H95 PolarHBondContact O-N 3.48Å; V93-H95 VanDerWaalsContact C-N 3.28Å; V93-H95 PolarHBondContact O-N 3.4Å; H95-K99 WeakPolarHBondContact O-CB 3.4Å; H95-K99 PolarHBondContact O-N 3.11Å |
| 96 | E | 96.6 | Very high | 94.2 | Very high | 99 Ų | 99 | 109.5 Ų | 109.5 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 174.1 | -70.9 | 176.9 | 162.8 | 0 | 0 | 110.9 | K92 V93 K99 R100 | K92-E96 WeakPolarHBondContact CE-OE1 3.24Å; K92-E96 IonicContact NZ-OE1 3.68Å; K92-E96 PolarHBondContact NZ-OE1 3.45Å; K92-E96 IonicContact NZ-OE2 2.76Å; K92-E96 PolarHBondContact NZ-OE2 3.31Å; K92-E96 PolarHBondContact O-N 2.96Å; V93-E96 PolarHBondContact O-N 3.38Å; E96-K99 WeakPolarHBondContact O-CB 3.15Å; E96-K99 PolarHBondContact O-N 3.26Å; E96-R100 PolarHBondContact O-N 2.99Å |
| 97 | E | 94.6 | Very high | 93.1 | Very high | 85 Ų | 85 | 107.1 Ų | 107.1 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 175.7 | 179.7 | 65.6 | 173.4 | 0 | 0 | 112.8 | V93 K99 R100 R101 | V93-E97 VanDerWaalsContact O-CB 3.29Å; V93-E97 WeakPolarHBondContact O-CB 3.46Å; V93-E97 PolarHBondContact O-N 2.95Å; E97-K99 VanDerWaalsContact C-N 3.26Å; E97-K99 PolarHBondContact O-N 2.88Å; E97-R100 PolarHBondContact O-N 3.02Å; E97-R100 IonicContact OE1-CZ 2.95Å; E97-R100 IonicContact OE1-NE 2.85Å; E97-R100 IonicContact OE1-NH2 3.47Å; E97-R100 PolarHBondContact OE1-NH2 2.65Å; E97-R100 IonicContact OE2-CZ 3.02Å; E97-R100 VanDerWaalsContact OE2-CZ 3.27Å; E97-R100 IonicContact OE2-NE 2.68Å; E97-R100 PolarHBondContact OE2-NE 3.33Å; E97-R100 IonicContact OE2-NH2 3.63Å; E97-R100 PolarHBondContact OE2-NH2 3.02Å; E97-R101 WeakPolarHBondContact O-CB 3.35Å; E97-R101 PolarHBondContact O-N 3.05Å |
| 98 | E | 94.7 | Very high | 92 | Very high | 58 Ų | 58 | 106.1 Ų | 106.1 | 27% | 0.271 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -37.7 | 172.8 | 177.9 | 66.6 | -120.9 | 0 | 0 | 111.6 | L94 R101 R102 | L94-E98 WeakPolarHBondContact O-CB 3.25Å; L94-E98 PolarHBondContact O-N 3.35Å; E98-R101 IonicContact OE1-CZ 2.7Å; E98-R101 IonicContact OE1-NE 3.85Å; E98-R101 IonicContact OE1-NH2 3.72Å; E98-R101 PolarHBondContact OE1-NH2 3.39Å; E98-R101 IonicContact OE2-CZ 3.93Å; E98-R101 IonicContact OE2-NH1 2.72Å; E98-R101 IonicContact OE2-NH2 3.94Å; E98-R101 PolarHBondContact OE2-NH2 3.07Å; E98-R102 PolarHBondContact O-N 3.42Å; E98-R102 IonicContact OE1-CZ 2.66Å; E98-R102 IonicContact OE1-NH1 3.64Å; E98-R102 IonicContact OE1-NH2 2.93Å |
| 99 | K | 95.3 | Very high | 90.9 | Very high | 153 Ų | 153 | 106.2 Ų | 106.2 | 67% | 0.665 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.8 | -41.6 | 176.1 | -172.5 | 178.2 | 178.9 | -178.1 | 0 | 111.9 | H95 E96 E97 K103 | H95-K99 WeakPolarHBondContact O-CB 3.4Å; H95-K99 PolarHBondContact O-N 3.11Å; E96-K99 WeakPolarHBondContact O-CB 3.15Å; E96-K99 PolarHBondContact O-N 3.26Å; E97-K99 VanDerWaalsContact C-N 3.26Å; E97-K99 PolarHBondContact O-N 2.88Å; K99-K103 PolarHBondContact O-N 3.11Å |
| 100 | R | 95.1 | Very high | 89.7 | Confident | 118 Ų | 118 | 104.5 Ų | 104.5 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -52.5 | 173.2 | -176.6 | -179.6 | 72.5 | 90.2 | -4.6 | 111 | E96 E97 R102 K103 E104 | E96-R100 PolarHBondContact O-N 2.99Å; E97-R100 PolarHBondContact O-N 3.02Å; E97-R100 IonicContact OE1-CZ 2.95Å; E97-R100 IonicContact OE1-NE 2.85Å; E97-R100 IonicContact OE1-NH2 3.47Å; E97-R100 PolarHBondContact OE1-NH2 2.65Å; E97-R100 IonicContact OE2-CZ 3.02Å; E97-R100 VanDerWaalsContact OE2-CZ 3.27Å; E97-R100 IonicContact OE2-NE 2.68Å; E97-R100 PolarHBondContact OE2-NE 3.33Å; E97-R100 IonicContact OE2-NH2 3.63Å; E97-R100 PolarHBondContact OE2-NH2 3.02Å; R100-R102 VanDerWaalsContact C-N 3.33Å; R100-R102 PolarHBondContact O-N 2.89Å; R100-K103 WeakPolarHBondContact O-CA 3.17Å; R100-K103 WeakPolarHBondContact O-CB 3.29Å; R100-K103 PolarHBondContact O-N 3.24Å; R100-E104 VanDerWaalsContact CG-OE1 3.25Å; R100-E104 WeakPolarHBondContact CG-OE1 3.36Å; R100-E104 IonicContact CZ-OE1 2.8Å; R100-E104 IonicContact CZ-OE2 3.43Å; R100-E104 IonicContact NE-OE1 2.65Å; R100-E104 IonicContact NH1-OE1 3.02Å; R100-E104 PolarHBondContact NH1-OE1 2.92Å; R100-E104 IonicContact NH1-OE2 2.8Å; R100-E104 PolarHBondContact NH1-OE2 3.3Å; R100-E104 PolarHBondContact O-N 2.89Å |
| 101 | R | 93.4 | Very high | 88.3 | Confident | 134 Ų | 134 | 105.8 Ų | 105.8 | 51% | 0.506 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.3 | -40.9 | 179.6 | -169.1 | -175 | 70.1 | -161.8 | -2.2 | 112.5 | E97 E98 K103 E104 Q105 | E97-R101 WeakPolarHBondContact O-CB 3.35Å; E97-R101 PolarHBondContact O-N 3.05Å; E98-R101 IonicContact OE1-CZ 2.7Å; E98-R101 IonicContact OE1-NE 3.85Å; E98-R101 IonicContact OE1-NH2 3.72Å; E98-R101 PolarHBondContact OE1-NH2 3.39Å; E98-R101 IonicContact OE2-CZ 3.93Å; E98-R101 IonicContact OE2-NH1 2.72Å; E98-R101 IonicContact OE2-NH2 3.94Å; E98-R101 PolarHBondContact OE2-NH2 3.07Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 2.95Å; R101-E104 PolarHBondContact O-N 3.47Å; R101-Q105 WeakPolarHBondContact O-CB 3.23Å; R101-Q105 PolarHBondContact O-N 2.88Å |
| 102 | R | 91.7 | Very high | 86.7 | Confident | 161 Ų | 161 | 102.7 Ų | 102.7 | 61% | 0.608 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.9 | -39 | 173.7 | -82 | -155.8 | -169.6 | 83.2 | -0.1 | 112.9 | E98 R100 Q105 S106 | E98-R102 PolarHBondContact O-N 3.42Å; E98-R102 IonicContact OE1-CZ 2.66Å; E98-R102 IonicContact OE1-NH1 3.64Å; E98-R102 IonicContact OE1-NH2 2.93Å; R100-R102 VanDerWaalsContact C-N 3.33Å; R100-R102 PolarHBondContact O-N 2.89Å; R102-Q105 PolarHBondContact O-N 3.27Å; R102-S106 PolarHBondContact O-N 2.95Å; R102-S106 PolarHBondContact O-OG 3.43Å |
| 103 | K | 88.7 | Confident | 84.8 | Confident | 126 Ų | 126 | 100.7 Ų | 100.7 | 55% | 0.548 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 176.4 | -163.3 | -169.9 | 177.2 | -84.2 | 0 | 111 | K99 R100 R101 Q105 S106 D107 | K99-K103 PolarHBondContact O-N 3.11Å; R100-K103 WeakPolarHBondContact O-CA 3.17Å; R100-K103 WeakPolarHBondContact O-CB 3.29Å; R100-K103 PolarHBondContact O-N 3.24Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 2.95Å; K103-Q105 VanDerWaalsContact C-N 3.27Å; K103-Q105 PolarHBondContact O-N 2.89Å; K103-S106 WeakPolarHBondContact CA-OG 3.49Å; K103-S106 PolarHBondContact O-N 3.23Å; K103-S106 VanDerWaalsContact O-N 3.17Å; K103-S106 PolarHBondContact O-OG 2.85Å; K103-D107 IonicContact NZ-OD1 3.16Å; K103-D107 IonicContact NZ-OD2 3.68Å; K103-D107 PolarHBondContact NZ-OD2 2.89Å; K103-D107 WeakPolarHBondContact O-CB 3.45Å; K103-D107 PolarHBondContact O-N 3.32Å |
| 104 | E | 82.3 | Confident | 82.9 | Confident | 81 Ų | 81 | 100.8 Ų | 100.8 | 38% | 0.379 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 175.8 | -72.3 | 164.7 | -168.4 | 0 | 0 | 111.7 | R100 R101 D107 I108 | R100-E104 VanDerWaalsContact CG-OE1 3.25Å; R100-E104 WeakPolarHBondContact CG-OE1 3.36Å; R100-E104 IonicContact CZ-OE1 2.8Å; R100-E104 IonicContact CZ-OE2 3.43Å; R100-E104 IonicContact NE-OE1 2.65Å; R100-E104 IonicContact NH1-OE1 3.02Å; R100-E104 PolarHBondContact NH1-OE1 2.92Å; R100-E104 IonicContact NH1-OE2 2.8Å; R100-E104 PolarHBondContact NH1-OE2 3.3Å; R100-E104 PolarHBondContact O-N 2.89Å; R101-E104 PolarHBondContact O-N 3.47Å; E104-D107 PolarHBondContact O-N 3.46Å; E104-I108 WeakPolarHBondContact O-CB 3.28Å; E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.47Å; E104-I108 PolarHBondContact O-N 3.38Å |
| 105 | Q | 82.8 | Confident | 80.6 | Confident | 118 Ų | 118 | 100.4 Ų | 100.4 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.8 | -39.8 | 174.5 | -161.9 | 75.6 | 76.9 | 0 | 0 | 113 | R101 R102 K103 T109 | R101-Q105 WeakPolarHBondContact O-CB 3.23Å; R101-Q105 PolarHBondContact O-N 2.88Å; R102-Q105 PolarHBondContact O-N 3.27Å; K103-Q105 VanDerWaalsContact C-N 3.27Å; K103-Q105 PolarHBondContact O-N 2.89Å; Q105-T109 WeakPolarHBondContact O-CB 3.48Å; Q105-T109 PolarHBondContact O-N 2.91Å; Q105-T109 VanDerWaalsContact O-N 3.13Å; Q105-T109 PolarHBondContact O-OG1 3.04Å |
| 106 | S | 79.6 | Confident | 77.9 | Confident | 55 Ų | 55 | 102.4 Ų | 102.4 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.2 | -38.2 | 174.5 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | R102 K103 T109 T110 | R102-S106 PolarHBondContact O-N 2.95Å; R102-S106 PolarHBondContact O-OG 3.43Å; K103-S106 WeakPolarHBondContact CA-OG 3.49Å; K103-S106 PolarHBondContact O-N 3.23Å; K103-S106 VanDerWaalsContact O-N 3.17Å; K103-S106 PolarHBondContact O-OG 2.85Å; S106-T109 PolarHBondContact O-N 2.9Å; S106-T110 VanDerWaalsContact O-CB 3.32Å; S106-T110 WeakPolarHBondContact O-CB 3.48Å; S106-T110 PolarHBondContact O-N 3.03Å; S106-T110 PolarHBondContact O-OG1 3.39Å |
| 107 | D | 76.7 | Confident | 75.2 | Confident | 60 Ų | 60 | 105 Ų | 105 | 32% | 0.321 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.5 | -43.4 | -179.2 | -65.7 | -4.6 | 0 | 0 | 0 | 110 | K103 E104 T110 L111 | K103-D107 IonicContact NZ-OD1 3.16Å; K103-D107 IonicContact NZ-OD2 3.68Å; K103-D107 PolarHBondContact NZ-OD2 2.89Å; K103-D107 WeakPolarHBondContact O-CB 3.45Å; K103-D107 PolarHBondContact O-N 3.32Å; E104-D107 PolarHBondContact O-N 3.46Å; D107-T110 PolarHBondContact O-N 2.92Å; D107-L111 WeakPolarHBondContact O-CB 3.44Å; D107-L111 VanDerWaalsContact O-CG 3.31Å; D107-L111 WeakPolarHBondContact O-CG 3.25Å; D107-L111 PolarHBondContact O-N 3.25Å |
| 108 | I | 75.2 | Confident | 72.9 | Confident | 101 Ų | 101 | 107 Ų | 107 | 52% | 0.518 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 171.9 | -72.1 | 168.8 | 0 | 0 | 0 | 111.6 | E104 T110 T112 | E104-I108 WeakPolarHBondContact O-CB 3.28Å; E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.47Å; E104-I108 PolarHBondContact O-N 3.38Å; I108-T110 VanDerWaalsContact C-N 3.31Å; I108-T110 PolarHBondContact O-N 2.9Å; I108-T112 VanDerWaalsContact O-CB 3.32Å; I108-T112 WeakPolarHBondContact O-CB 3.33Å; I108-T112 PolarHBondContact O-N 2.93Å; I108-T112 PolarHBondContact O-OG1 3.43Å |
| 109 | T | 75.4 | Confident | 70.5 | Confident | 83 Ų | 83 | 108.3 Ų | 108.3 | 51% | 0.509 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.9 | -42.6 | 176.8 | -65 | 0 | 0 | 0 | 0 | 111.3 | Q105 S106 T112 S113 | Q105-T109 WeakPolarHBondContact O-CB 3.48Å; Q105-T109 PolarHBondContact O-N 2.91Å; Q105-T109 VanDerWaalsContact O-N 3.13Å; Q105-T109 PolarHBondContact O-OG1 3.04Å; S106-T109 PolarHBondContact O-N 2.9Å; T109-T112 PolarHBondContact O-N 2.93Å; T109-S113 PolarHBondContact O-N 3.32Å; T109-S113 PolarHBondContact O-OG 2.85Å |
| 110 | T | 73.3 | Confident | 68 | Low | 84 Ų | 84 | 108.2 Ų | 108.2 | 52% | 0.515 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -73.6 | -39.4 | -177 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | S106 D107 I108 T112 S113 A114 | S106-T110 VanDerWaalsContact O-CB 3.32Å; S106-T110 WeakPolarHBondContact O-CB 3.48Å; S106-T110 PolarHBondContact O-N 3.03Å; S106-T110 PolarHBondContact O-OG1 3.39Å; D107-T110 PolarHBondContact O-N 2.92Å; I108-T110 VanDerWaalsContact C-N 3.31Å; I108-T110 PolarHBondContact O-N 2.9Å; T110-T112 VanDerWaalsContact C-N 3.34Å; T110-S113 PolarHBondContact O-N 2.92Å; T110-S113 PolarHBondContact O-OG 2.83Å; T110-A114 VanDerWaalsContact O-CB 3.23Å; T110-A114 WeakPolarHBondContact O-CB 3.34Å; T110-A114 PolarHBondContact O-N 2.66Å |
| 111 | L | 69.6 | Low | 66 | Low | 126 Ų | 126 | 107.9 Ų | 107.9 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.4 | -36.8 | 173.5 | -71.1 | 169.6 | 0 | 0 | 0 | 111.5 | D107 S115 | D107-L111 WeakPolarHBondContact O-CB 3.44Å; D107-L111 VanDerWaalsContact O-CG 3.31Å; D107-L111 WeakPolarHBondContact O-CG 3.25Å; D107-L111 PolarHBondContact O-N 3.25Å; L111-S115 WeakPolarHBondContact O-CB 3.32Å; L111-S115 PolarHBondContact O-N 2.93Å |
| 112 | T | 63.4 | Low | 63.6 | Low | 72 Ų | 72 | 108.8 Ų | 108.8 | 44% | 0.442 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.8 | -47.6 | 174.7 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | I108 T109 T110 A114 S115 Y116 | I108-T112 VanDerWaalsContact O-CB 3.32Å; I108-T112 WeakPolarHBondContact O-CB 3.33Å; I108-T112 PolarHBondContact O-N 2.93Å; I108-T112 PolarHBondContact O-OG1 3.43Å; T109-T112 PolarHBondContact O-N 2.93Å; T110-T112 VanDerWaalsContact C-N 3.34Å; T112-A114 VanDerWaalsContact C-N 3.35Å; T112-A114 PolarHBondContact O-N 3.33Å; T112-S115 PolarHBondContact O-N 2.89Å; T112-S115 VanDerWaalsContact O-N 3.14Å; T112-Y116 HydrophobicContact CG2-CD2 4.42Å; T112-Y116 HydrophobicContact CG2-CE2 4.15Å; T112-Y116 WeakPolarHBondContact O-CD2 3.39Å |
| 113 | S | 58.3 | Low | 61.3 | Low | 82 Ų | 82 | 107.7 Ų | 107.7 | 57% | 0.573 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.4 | -31.1 | 178.8 | 61.9 | 0 | 0 | 0 | 0 | 113.3 | T109 T110 S115 | T109-S113 PolarHBondContact O-N 3.32Å; T109-S113 PolarHBondContact O-OG 2.85Å; T110-S113 PolarHBondContact O-N 2.92Å; T110-S113 PolarHBondContact O-OG 2.83Å; S113-S115 VanDerWaalsContact C-N 3.31Å |
| 114 | A | 58.4 | Low | 59.6 | Low | 83 Ų | 83 | 108.6 Ų | 108.6 | 69% | 0.686 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.7 | -22.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T110 T112 | T110-A114 VanDerWaalsContact O-CB 3.23Å; T110-A114 WeakPolarHBondContact O-CB 3.34Å; T110-A114 PolarHBondContact O-N 2.66Å; T112-A114 VanDerWaalsContact C-N 3.35Å; T112-A114 PolarHBondContact O-N 3.33Å |
| 115 | S | 49.3 | Very low | 57.9 | Low | 97 Ų | 97 | 107 Ų | 107 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -82.9 | -13 | -179.3 | -172 | 0 | 0 | 0 | 0 | 114.3 | L111 T112 S113 | L111-S115 WeakPolarHBondContact O-CB 3.32Å; L111-S115 PolarHBondContact O-N 2.93Å; T112-S115 PolarHBondContact O-N 2.89Å; T112-S115 VanDerWaalsContact O-N 3.14Å; S113-S115 VanDerWaalsContact C-N 3.31Å |
| 116 | Y | 41.4 | Very low | 56.2 | Low | 175 Ų | 175 | 108.6 Ų | 108.6 | 69% | 0.686 | 63% | 0.627 | S | S | * | * | trans | -94.5 | 102.8 | -178.7 | -87 | -80.2 | 0 | 0 | 0 | 112.4 | T112 | T112-Y116 HydrophobicContact CG2-CD2 4.42Å; T112-Y116 HydrophobicContact CG2-CE2 4.15Å; T112-Y116 WeakPolarHBondContact O-CD2 3.39Å | ||
| 117 | Q | 40.1 | Very low | 54.5 | Low | 152 Ų | 152 | 114.7 Ų | 114.7 | 71% | 0.71 | 65% | 0.649 | S | S | * | * | trans | -63 | 134.6 | 144.3 | -76.2 | -65.5 | -48.5 | 0 | 0 | 108.4 | S119 | Q117-S119 PolarHBondContact O-N 3.44Š| ||
| 118 | P | 46.4 | Very low | 53.2 | Low | 127 Ų | 127 | 118.4 Ų | 118.4 | 83% | 0.825 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -79.3 | 56.9 | -177.1 | 33.7 | -36.6 | 0 | 0 | 0 | 111.7 | ||
| 119 | S | 44.9 | Very low | 52.1 | Low | 86 Ų | 86 | 121.5 Ų | 121.5 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | trans | -137.2 | 75.3 | -174.1 | 62.7 | 0 | 0 | 0 | 0 | 112.3 | Q117 | Q117-S119 PolarHBondContact O-N 3.44Š| ||
| 120 | L | 42.2 | Very low | 50.6 | Low | 151 Ų | 151 | 122.8 Ų | 122.8 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | 169.6 | 119.4 | 122.5 | -89.4 | 170.1 | 0 | 0 | 0 | 110.5 | M122 | L120-M122 HydrophobicContact CB-CG 4.36Å; L120-M122 PolarHBondContact O-N 3.11Å | |||
| 121 | S | 53.5 | Low | 49.3 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 71% | 0.709 | S | S | * | * | trans | -76 | 105 | 167.4 | 51.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 122 | M | 42.9 | Very low | 48.4 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | trans | -121.4 | 107.5 | -178.3 | -83.2 | -73.1 | 101.9 | 0 | 0 | 114.1 | L120 | L120-M122 HydrophobicContact CB-CG 4.36Å; L120-M122 PolarHBondContact O-N 3.11Å | ||
| 123 | H | 43.4 | Very low | 47 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 64% | 0.639 | 74% | 0.735 | S | S | * | * | trans | 67.1 | 103.5 | 141.9 | -162.7 | -92.6 | 0 | 0 | 0 | 120 | G125 | H123-G125 PolarHBondContact CE1-O 2.86Å; H123-G125 PolarHBondContact ND1-N 2.94Å | ||
| 124 | T | 52 | Low | 46 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | trans | -78.2 | 108.7 | 155.9 | 50.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 125 | G | 46.6 | Very low | 45.8 | Very low | 49 Ų | 49 | 129.3 Ų | 129.3 | 51% | 0.505 | 75% | 0.748 | S | S | . | * | trans | 163 | 134.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | H123 | H123-G125 PolarHBondContact CE1-O 2.86Å; H123-G125 PolarHBondContact ND1-N 2.94Å | ||
| 126 | Q | 46.9 | Very low | 45.7 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 9 | 112.1 | 140.2 | -84 | -88.4 | 10.9 | 0 | 0 | 118.1 | ||||
| 127 | H | 43.7 | Very low | 45.5 | Very low | 182 Ų | 182 | 128 Ų | 128 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -140.8 | 146.9 | 137.8 | -82.1 | -65.8 | 0 | 0 | 0 | 109.8 | ||||
| 128 | L | 50.2 | Low | 45.6 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | trans | -96.2 | 139.9 | -164 | -65.4 | 161 | 0 | 0 | 0 | 112.5 | ||||
| 129 | L | 51.9 | Low | 45.7 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -151.1 | 90.2 | 155.8 | -110.4 | 169.7 | 0 | 0 | 0 | 109.7 | ||||
| 130 | S | 43.3 | Very low | 45.9 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -92.9 | 114 | 178.9 | -60.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 131 | I | 47 | Very low | 46.3 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | -129.8 | 123.7 | 162.8 | -58 | -179.3 | 0 | 0 | 0 | 106.8 | G133 | I131-G133 PolarHBondContact O-N 2.98Š| ||
| 132 | P | 50 | Low | 45.8 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -77.7 | 117.5 | -169.6 | 29.3 | -33.9 | 0 | 0 | 0 | 112.2 | ||||
| 133 | G | 35.1 | Very low | 45.8 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | -149.1 | 81.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I131 | I131-G133 PolarHBondContact O-N 2.98Š| ||
| 134 | S | 37.4 | Very low | 45.9 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -78.7 | 155 | 166.8 | -154.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 135 | P | 54 | Low | 45.9 | Very low | 108 Ų | 108 | 134 Ų | 134 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | cis | -137.1 | 170.6 | 17.1 | 36.5 | -16 | 0 | 0 | 0 | 117.8 | ||||
| 136 | V | 45.8 | Very low | 45.6 | Very low | 141 Ų | 141 | 135 Ų | 135 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | 59.3 | 92 | 151.9 | 174.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 137 | S | 39 | Very low | 45.8 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | -161.2 | 111.6 | 125.8 | -171.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 138 | H | 41.9 | Very low | 45.9 | Very low | 203 Ų | 203 | 140.2 Ų | 140.2 | 94% | 0.94 | 82% | 0.821 | S | S | * | * | trans | -127 | 126.2 | 171 | -77.7 | -26.3 | 0 | 0 | 0 | 110.8 | ||||
| 139 | S | 47.8 | Very low | 45.6 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 69% | 0.685 | 82% | 0.819 | S | S | * | * | trans | -121.6 | 174.6 | 176.6 | 58.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 140 | R | 49.6 | Very low | 45.3 | Very low | 229 Ų | 229 | 139.1 Ų | 139.1 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | 77.6 | 162.7 | 176.7 | -55 | 173.9 | 159.4 | -101.4 | -2.5 | 115.9 | ||||
| 141 | P | 49.5 | Very low | 45.6 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | cis | -118.2 | 163.1 | -20.2 | 21.6 | -1.1 | 0 | 0 | 0 | 112.7 | ||||
| 142 | G | 42.8 | Very low | 45.4 | Very low | 82 Ų | 82 | 143.3 Ų | 143.3 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | -92.4 | 123.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 143 | A | 43.5 | Very low | 45.5 | Very low | 94 Ų | 94 | 146 Ų | 146 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | trans | -160.5 | 105.9 | 157 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 144 | L | 46.6 | Very low | 46 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 93% | 0.927 | 83% | 0.826 | S | S | * | * | trans | 175.9 | 130.1 | 133.9 | -94.8 | 175.8 | 0 | 0 | 0 | 109 | ||||
| 145 | L | 50.7 | Low | 46.1 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 96% | 0.958 | 82% | 0.822 | S | S | * | * | trans | -82.3 | 122.1 | 177.4 | -155.7 | 79.7 | 0 | 0 | 0 | 108.1 | ||||
| 146 | G | 41.8 | Very low | 45.3 | Very low | 70 Ų | 70 | 147.9 Ų | 147.9 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | trans | -173.9 | 74.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R148 | G146-R148 PolarHBondContact O-N 2.76Š| ||
| 147 | E | 49.4 | Very low | 45.1 | Very low | 194 Ų | 194 | 147.7 Ų | 147.7 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | trans | -1.8 | 109.7 | 157.4 | -174.5 | 175.1 | -172.5 | 0 | 0 | 117.9 | ||||
| 148 | R | 46.7 | Very low | 45.5 | Very low | 248 Ų | 248 | 149.4 Ų | 149.4 | 94% | 0.936 | 83% | 0.827 | S | S | * | * | trans | -153.4 | 123.9 | 151.7 | -120 | 160.9 | -175.6 | -97.1 | -4.1 | 112.9 | G146 | G146-R148 PolarHBondContact O-N 2.76Š| ||
| 149 | S | 43 | Very low | 45.6 | Very low | 97 Ų | 97 | 145.5 Ų | 145.5 | 68% | 0.678 | 82% | 0.819 | S | S | * | * | trans | -89.3 | 133.7 | -175.6 | -134.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 150 | K | 47.5 | Very low | 45 | Very low | 185 Ų | 185 | 147 Ų | 147 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | 72.7 | 149.4 | 150 | -59 | 166.7 | -173.5 | 179.3 | 0 | 119.4 | ||||
| 151 | Q | 48.8 | Very low | 44.5 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | 62.3 | 103.6 | 167.4 | -62.1 | -168.2 | -81.9 | 0 | 0 | 119.6 | ||||
| 152 | L | 42.8 | Very low | 43.9 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 88% | 0.88 | 83% | 0.825 | S | S | * | * | trans | -135.1 | 67.4 | 150.7 | -77.9 | -180 | 0 | 0 | 0 | 110.7 | ||||
| 153 | F | 51.7 | Low | 43.5 | Very low | 190 Ų | 190 | 156.5 Ų | 156.5 | 83% | 0.833 | 83% | 0.828 | S | S | * | * | trans | -146.8 | 113.8 | 163.1 | -76.6 | -65.3 | 0 | 0 | 0 | 109.6 | A155 | F153-A155 PolarHBondContact O-N 3.5Š| ||
| 154 | P | 45.3 | Very low | 43.4 | Very low | 133 Ų | 133 | 161 Ų | 161 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | trans | -80.4 | 98.7 | 168.4 | 31.3 | -30.3 | 0 | 0 | 0 | 109.5 | ||||
| 155 | A | 39.5 | Very low | 43 | Very low | 89 Ų | 89 | 159 Ų | 159 | 74% | 0.736 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 134.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | F153 V157 | F153-A155 PolarHBondContact O-N 3.5Å; A155-V157 PolarHBondContact O-N 2.89Å |
| 156 | S | 36.8 | Very low | 42.6 | Very low | 119 Ų | 119 | 156.3 Ų | 156.3 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 130.6 | -176.3 | -55.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 157 | V | 42.9 | Very low | 42.3 | Very low | 137 Ų | 137 | 156.5 Ų | 156.5 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 123.4 | 177.4 | -173.6 | 0 | 0 | 0 | 0 | 110 | A155 | A155-V157 PolarHBondContact O-N 2.89Š|
| 158 | I | 46.3 | Very low | 41.6 | Very low | 142 Ų | 142 | 157.5 Ų | 157.5 | 73% | 0.728 | 83% | 0.825 | S | S | * | * | trans | -106.3 | 132.3 | 167.3 | -61.2 | 177.7 | 0 | 0 | 0 | 107.9 | T160 | I158-T160 PolarHBondContact O-N 2.93Š| ||
| 159 | P | 45.6 | Very low | 41.1 | Very low | 120 Ų | 120 | 151 Ų | 151 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -71.8 | 108.7 | 179.4 | -17.8 | 31.9 | 0 | 0 | 0 | 112.5 | R161 | P159-R161 PolarHBondContact O-N 3.36Š| ||
| 160 | T | 35.1 | Very low | 40.9 | Very low | 129 Ų | 129 | 152.6 Ų | 152.6 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 119.6 | 171.7 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | I158 | I158-T160 PolarHBondContact O-N 2.93Š|
| 161 | R | 37.8 | Very low | 40.3 | Very low | 234 Ų | 234 | 149.3 Ų | 149.3 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 137.6 | 165.7 | -126.9 | 179 | -171.6 | -103.4 | 2.1 | 109.8 | P159 | P159-R161 PolarHBondContact O-N 3.36Š|
| 162 | H | 37.7 | Very low | 39.7 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 79% | 0.787 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 139.5 | -170.4 | -50.7 | -88.7 | 0 | 0 | 0 | 113.4 | ||
| 163 | Y | 35.2 | Very low | 39.5 | Very low | 230 Ų | 230 | 142.7 Ų | 142.7 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -129.8 | 145 | 150.1 | -86.7 | -86.3 | 0 | 0 | 0 | 108.8 | ||||
| 164 | Q | 40.7 | Very low | 38.7 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -95.9 | 144.2 | 178.7 | -59.6 | 179.4 | 17.6 | 0 | 0 | 110.2 | ||||
| 165 | T | 36.9 | Very low | 38.3 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -139 | 137.3 | 164.1 | 12.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 166 | P | 43.2 | Very low | 38 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -67.7 | 139.7 | 179.3 | -18.4 | 32.3 | 0 | 0 | 0 | 111.6 | ||||
| 167 | G | 35.3 | Very low | 38 | Very low | 74 Ų | 74 | 147.7 Ų | 147.7 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | trans | -85.8 | 152.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 168 | F | 34.8 | Very low | 37.8 | Very low | 216 Ų | 216 | 151.4 Ų | 151.4 | 95% | 0.947 | 83% | 0.833 | S | S | * | * | trans | -113.5 | 114.6 | 158.2 | -86 | -88.6 | 0 | 0 | 0 | 108.6 | ||||
| 169 | S | 36.7 | Very low | 37.4 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | trans | -96.1 | 129.3 | 174.3 | 52.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 170 | S | 39.3 | Very low | 36.8 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -70.9 | 132.6 | 169.3 | 52.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 171 | S | 34.6 | Very low | 36.8 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | -134.1 | 161 | 172.9 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 172 | S | 34.6 | Very low | 36.7 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | trans | -66.1 | 175.9 | -166.8 | -155.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 173 | A | 39.3 | Very low | 36.6 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 69% | 0.694 | 82% | 0.819 | S | S | * | * | trans | -87.8 | -172.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 174 | E | 34.7 | Very low | 36.5 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | 105.2 | 129 | 162.2 | -55.7 | -159 | 99.4 | 0 | 0 | 119.2 | ||||
| 175 | H | 36.4 | Very low | 36.3 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | 47.3 | 95.1 | 159.6 | -81.5 | -84.1 | 0 | 0 | 0 | 121 | ||||
| 176 | G | 34.8 | Very low | 36.4 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -77.6 | -170.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 177 | Q | 35.6 | Very low | 36.9 | Very low | 203 Ų | 203 | 133.9 Ų | 133.9 | 95% | 0.949 | 80% | 0.802 | S | S | * | * | trans | -147.2 | 164.5 | 167.9 | -97.2 | -178.2 | 8.2 | 0 | 0 | 110.4 | ||||
| 178 | F | 38.7 | Very low | 36.9 | Very low | 215 Ų | 215 | 140.6 Ų | 140.6 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | trans | -107.6 | 123 | -169.3 | -134.2 | -89.4 | 0 | 0 | 0 | 111.8 | ||||
| 179 | S | 37.7 | Very low | 37 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -168.5 | 147.8 | 163.1 | -162 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 180 | G | 33.9 | Very low | 37.2 | Very low | 55 Ų | 55 | 135.3 Ų | 135.3 | 57% | 0.567 | 80% | 0.802 | S | S | * | * | cis | 156.5 | 104.2 | -7.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 181 | S | 35.2 | Very low | 37 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | 74.1 | 136.1 | 159.6 | 84 | 0 | 0 | 0 | 0 | 120 | ||||
| 182 | Q | 35.9 | Very low | 37.1 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | 51.8 | 149.2 | 147.7 | -49.8 | -67.2 | -13.1 | 0 | 0 | 119.9 | ||||
| 183 | G | 34.7 | Very low | 37.2 | Very low | 60 Ų | 60 | 131.5 Ų | 131.5 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | cis | 150.1 | 179 | 0.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 184 | V | 33 | Very low | 37.2 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | trans | 79.4 | 101.6 | 160.6 | -173.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 185 | H | 36.7 | Very low | 37.1 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 82% | 0.819 | 79% | 0.787 | S | S | * | * | trans | 63.7 | 118.5 | 137.4 | -82.3 | -93.3 | 0 | 0 | 0 | 125.6 | ||||
| 186 | E | 39.8 | Very low | 37.6 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | trans | -56.5 | 151.2 | 139.1 | -89.2 | -79.2 | 141.1 | 0 | 0 | 113.9 | ||||
| 187 | P | 53.2 | Low | 37.7 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -132.6 | 135.4 | 137.6 | 36.2 | -24.1 | 0 | 0 | 0 | 114.6 | ||||
| 188 | Y | 34.8 | Very low | 37.8 | Very low | 215 Ų | 215 | 130.6 Ų | 130.6 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -56 | 139.1 | 178.2 | -78 | -109 | 0 | 0 | 0 | 114.5 | ||||
| 189 | G | 37.9 | Very low | 37.6 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 78% | 0.777 | S | S | * | * | trans | -121 | 101.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 190 | V | 39.5 | Very low | 37.6 | Very low | 138 Ų | 138 | 130 Ų | 130 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -105.2 | 116.9 | 174.8 | 174.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 191 | A | 36.3 | Very low | 38.3 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -151 | 125.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 192 | A | 37 | Very low | 38.4 | Very low | 86 Ų | 86 | 131.7 Ų | 131.7 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 26.7 | 108.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 193 | S | 35.5 | Very low | 38.8 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -71.4 | 133.9 | 146.6 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 194 | Q | 39.2 | Very low | 39.1 | Very low | 173 Ų | 173 | 132.2 Ų | 132.2 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -121 | 121.1 | 167.6 | -70.1 | -169.5 | -0.7 | 0 | 0 | 110 | ||||
| 195 | H | 33.6 | Very low | 39.8 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 75% | 0.75 | 79% | 0.793 | S | S | * | * | trans | -84.4 | 150.5 | 165.9 | -61.5 | -87.9 | 0 | 0 | 0 | 109.6 | ||||
| 196 | P | 46.1 | Very low | 40.4 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | -130.5 | 134.3 | 117 | 35.2 | -28.9 | 0 | 0 | 0 | 112.5 | |||||
| 197 | S | 36.6 | Very low | 40.4 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -82.2 | 137.7 | 166.1 | -65.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 198 | T | 37.7 | Very low | 39.5 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -138.6 | 132.9 | 161.2 | -65.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 199 | Y | 36.3 | Very low | 39.5 | Very low | 229 Ų | 229 | 127.2 Ų | 127.2 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -87.6 | 135.6 | -173.1 | -107.7 | -110.2 | 0 | 0 | 0 | 112.2 | ||||
| 200 | A | 36.9 | Very low | 39.3 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -155.8 | 135.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 201 | P | 48.2 | Very low | 39.1 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -89.4 | 143.7 | -173.9 | 33.7 | -34.2 | 0 | 0 | 0 | 113.8 | ||||
| 202 | G | 37.6 | Very low | 39.1 | Very low | 66 Ų | 66 | 126.9 Ų | 126.9 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | -147.6 | 157 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 203 | P | 45 | Very low | 39.3 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 140.8 | -162.3 | 27.2 | -35.1 | 0 | 0 | 0 | 114.3 | ||
| 204 | S | 40 | Very low | 39.7 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 123.5 | -178.1 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 205 | V | 48.6 | Very low | 40 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 144.5 | 161.5 | -76.2 | 0 | 0 | 0 | 0 | 110.6 | V207 | V205-V207 PolarHBondContact O-N 3.49Š|
| 206 | P | 49.6 | Very low | 40.4 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 118.3 | -177.7 | 28.9 | -33.8 | 0 | 0 | 0 | 111.7 | S208 | P206-S208 PolarHBondContact O-N 3.31Š|
| 207 | V | 37.8 | Very low | 40.2 | Very low | 127 Ų | 127 | 131 Ų | 131 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -89.9 | 101.6 | 174.2 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | V205 | V205-V207 PolarHBondContact O-N 3.49Š| ||
| 208 | S | 35.5 | Very low | 40.3 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -80.8 | 118 | 174.1 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | P206 A210 | P206-S208 PolarHBondContact O-N 3.31Å; S208-A210 PolarHBondContact O-N 2.92Å; S208-A210 VanDerWaalsContact O-N 3.11Å | ||
| 209 | F | 34.8 | Very low | 40.7 | Very low | 202 Ų | 202 | 129.5 Ų | 129.5 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | trans | -74.2 | 96.6 | 171.5 | -108.1 | -95.4 | 0 | 0 | 0 | 110.9 | ||||
| 210 | A | 34.3 | Very low | 41.1 | Very low | 98 Ų | 98 | 123.3 Ų | 123.3 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -97.5 | 86.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | S208 S212 | S208-A210 PolarHBondContact O-N 2.92Å; S208-A210 VanDerWaalsContact O-N 3.11Å; A210-S212 PolarHBondContact O-N 2.98Å | ||
| 211 | S | 34.5 | Very low | 41.4 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -79.2 | 99.2 | 173.6 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 212 | S | 36.9 | Very low | 41.2 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | -155 | 105.6 | 167.6 | -166 | 0 | 0 | 0 | 0 | 111.4 | A210 Q214 | A210-S212 PolarHBondContact O-N 2.98Å; S212-Q214 PolarHBondContact O-N 3.19Å | ||
| 213 | S | 40.9 | Very low | 41.7 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -77.5 | 84 | 179 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | I215 | S213-I215 PolarHBondContact O-N 3.45Š| ||
| 214 | Q | 43.6 | Very low | 41.7 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -72.7 | 92.9 | 174.6 | -80.2 | -69.5 | -21.9 | 0 | 0 | 112 | S212 R216 | S212-Q214 PolarHBondContact O-N 3.19Å; Q214-R216 PolarHBondContact O-N 2.92Å | ||
| 215 | I | 46.3 | Very low | 41.7 | Very low | 155 Ų | 155 | 136 Ų | 136 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | trans | -83.9 | 94.1 | 167.9 | -56.5 | 178.4 | 0 | 0 | 0 | 109.5 | S213 | S213-I215 PolarHBondContact O-N 3.45Š| ||
| 216 | R | 40.9 | Very low | 41.2 | Very low | 233 Ų | 233 | 140.2 Ų | 140.2 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -155.3 | 150.7 | 155 | -152.4 | 154.1 | -73.4 | -143.3 | 0.6 | 112.2 | Q214 | Q214-R216 PolarHBondContact O-N 2.92Š| ||
| 217 | G | 41.6 | Very low | 41 | Very low | 67 Ų | 67 | 141.5 Ų | 141.5 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | -74 | -180 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S219 | G217-S219 PolarHBondContact O-N 2.93Š| ||
| 218 | A | 40.3 | Very low | 41.1 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -56.1 | 130.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 219 | S | 45.4 | Very low | 41.4 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -85.2 | 136.3 | 168 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | G217 F221 | G217-S219 PolarHBondContact O-N 2.93Å; S219-F221 VanDerWaalsContact C-N 3.34Å; S219-F221 PolarHBondContact O-N 2.82Å | ||
| 220 | A | 44.5 | Very low | 41.8 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -93 | 31.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 221 | F | 42.3 | Very low | 41.9 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -120.6 | 129.1 | 177.8 | -73.3 | -86.1 | 0 | 0 | 0 | 111.2 | S219 A223 | S219-F221 VanDerWaalsContact C-N 3.34Å; S219-F221 PolarHBondContact O-N 2.82Å; F221-A223 PolarHBondContact O-N 3.49Å | ||
| 222 | Q | 45 | Very low | 41.9 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -72.7 | 120.3 | 175.6 | -65.2 | -171.6 | 38.4 | 0 | 0 | 110.2 | M224 | Q222-M224 PolarHBondContact O-N 3.28Š| ||
| 223 | A | 47.2 | Very low | 42 | Very low | 98 Ų | 98 | 143 Ų | 143 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -71.4 | 117.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | F221 Q225 | F221-A223 PolarHBondContact O-N 3.49Å; A223-Q225 PolarHBondContact O-N 2.79Å; A223-Q225 VanDerWaalsContact O-N 3.14Å | ||
| 224 | M | 46.3 | Very low | 41.6 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | trans | -66.5 | 112.2 | 176.4 | -80 | -69.6 | -73.2 | 0 | 0 | 110.3 | Q222 Y226 | Q222-M224 PolarHBondContact O-N 3.28Å; M224-Y226 PolarHBondContact O-N 2.83Å | ||
| 225 | Q | 39.1 | Very low | 42 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -68.4 | 90.8 | 176.7 | -170.2 | 83 | 70.6 | 0 | 0 | 110 | A223 L227 | A223-Q225 PolarHBondContact O-N 2.79Å; A223-Q225 VanDerWaalsContact O-N 3.14Å; Q225-L227 PolarHBondContact O-N 3.3Å; Q225-L227 VanDerWaalsContact O-N 3.16Å | ||
| 226 | Y | 37.7 | Very low | 41.8 | Very low | 211 Ų | 211 | 145.4 Ų | 145.4 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -64.4 | 115.6 | 175.1 | -96 | -92.8 | 0 | 0 | 0 | 110.7 | M224 | M224-Y226 PolarHBondContact O-N 2.83Š| ||
| 227 | L | 45.6 | Very low | 41.9 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -79 | 130.1 | 174.4 | -170.5 | 73.7 | 0 | 0 | 0 | 109.3 | Q225 H229 | Q225-L227 PolarHBondContact O-N 3.3Å; Q225-L227 VanDerWaalsContact O-N 3.16Å; L227-H229 PolarHBondContact O-N 3.31Å | ||
| 228 | P | 41.1 | Very low | 41.6 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -72.1 | 96.9 | 178.4 | 28.7 | -33.7 | 0 | 0 | 0 | 110.6 | Q230 | P228-Q230 PolarHBondContact O-N 3.08Å; P228-Q230 VanDerWaalsContact O-N 3.09Å | ||
| 229 | H | 42.2 | Very low | 41.6 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 68% | 0.676 | 78% | 0.782 | S | S | * | * | trans | -74.2 | 97.4 | 177.5 | 179.9 | 64 | 0 | 0 | 0 | 110.8 | L227 Q231 | L227-H229 PolarHBondContact O-N 3.31Å; H229-Q231 VanDerWaalsContact CD2-CG 3.49Å; H229-Q231 WeakPolarHBondContact CD2-CG 3.45Å; H229-Q231 WeakPolarHBondContact NE2-CG 3.36Å; H229-Q231 PolarHBondContact NE2-NE2 3.39Å; H229-Q231 PolarHBondContact O-N 2.81Å | ||
| 230 | Q | 41.9 | Very low | 41.2 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 119.6 | 172.3 | -163.7 | -156.8 | 124 | 0 | 0 | 109.5 | P228 | P228-Q230 PolarHBondContact O-N 3.08Å; P228-Q230 VanDerWaalsContact O-N 3.09Å |
| 231 | Q | 36.5 | Very low | 41.2 | Very low | 156 Ų | 156 | 151 Ų | 151 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 119.7 | 175.3 | -72.9 | -162.3 | -7.4 | 0 | 0 | 112.4 | H229 | H229-Q231 VanDerWaalsContact CD2-CG 3.49Å; H229-Q231 WeakPolarHBondContact CD2-CG 3.45Å; H229-Q231 WeakPolarHBondContact NE2-CG 3.36Å; H229-Q231 PolarHBondContact NE2-NE2 3.39Å; H229-Q231 PolarHBondContact O-N 2.81Å |
| 232 | T | 34.8 | Very low | 40.9 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 122.5 | 164.1 | -12 | 0 | 0 | 0 | 0 | 109 | ||
| 233 | G | 38.2 | Very low | 40.4 | Very low | 67 Ų | 67 | 146.5 Ų | 146.5 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 142.4 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 234 | Y | 33 | Very low | 40.3 | Very low | 213 Ų | 213 | 147.6 Ų | 147.6 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -133.9 | 129.3 | 160.1 | -76.1 | -83 | 0 | 0 | 0 | 109.1 | ||||
| 235 | P | 52.8 | Low | 40.2 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -84 | 124.1 | 179.8 | 32 | -32.1 | 0 | 0 | 0 | 111.4 | ||||
| 236 | V | 42.6 | Very low | 40.1 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | -111.8 | 136.3 | 162.7 | 179 | 0 | 0 | 0 | 0 | 108.5 | S238 | V236-S238 PolarHBondContact O-N 2.98Š| ||
| 237 | H | 41.8 | Very low | 40.5 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -93 | 104.6 | -160.2 | -170.1 | 67.5 | 0 | 0 | 0 | 111.9 | H239 | H237-H239 AromaticContact CD2-CE1 3.88Å; H237-H239 AromaticContact CD2-ND1 3.25Å; H237-H239 PolarHBondContact CD2-ND1 3.01Å; H237-H239 VanDerWaalsContact CD2-ND1 3.25Å; H237-H239 AromaticContact CG-ND1 3.98Å; H237-H239 AromaticContact NE2-ND1 3.8Å; H237-H239 PolarHBondContact O-CE1 3.47Å; H237-H239 PolarHBondContact O-ND1 3.37Å; H237-H239 VanDerWaalsContact O-ND1 3.15Å | ||
| 238 | S | 36.4 | Very low | 40.4 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -104.3 | 127.7 | 176.4 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | V236 | V236-S238 PolarHBondContact O-N 2.98Š| ||
| 239 | H | 39.9 | Very low | 40.7 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 61% | 0.611 | 79% | 0.789 | S | S | * | * | trans | -137.5 | 111.6 | -169.6 | 35.1 | -92.1 | 0 | 0 | 0 | 111.2 | H237 | H237-H239 AromaticContact CD2-CE1 3.88Å; H237-H239 AromaticContact CD2-ND1 3.25Å; H237-H239 PolarHBondContact CD2-ND1 3.01Å; H237-H239 VanDerWaalsContact CD2-ND1 3.25Å; H237-H239 AromaticContact CG-ND1 3.98Å; H237-H239 AromaticContact NE2-ND1 3.8Å; H237-H239 PolarHBondContact O-CE1 3.47Å; H237-H239 PolarHBondContact O-ND1 3.37Å; H237-H239 VanDerWaalsContact O-ND1 3.15Å | ||
| 240 | F | 36.1 | Very low | 40.8 | Very low | 208 Ų | 208 | 136 Ų | 136 | 91% | 0.912 | 79% | 0.786 | S | S | * | * | trans | -168 | 167.4 | 144.7 | -119.2 | -129 | 0 | 0 | 0 | 109.2 | ||||
| 241 | P | 44.5 | Very low | 41.4 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 159 | -135.3 | 33.3 | -37.6 | 0 | 0 | 0 | 117.2 | ||
| 242 | S | 36.2 | Very low | 42.4 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 140.5 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 243 | Q | 35.4 | Very low | 44.2 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 133.3 | 156.6 | -77.4 | -77.6 | -5.9 | 0 | 0 | 108.6 | G245 | Q243-G245 PolarHBondContact O-N 3.44Š|
| 244 | P | 44.8 | Very low | 45.7 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 126 | -176.3 | 30.4 | -33.8 | 0 | 0 | 0 | 111.6 | ||
| 245 | G | 43 | Very low | 47.2 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 168.4 | -30.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q243 | Q243-G245 PolarHBondContact O-N 3.44Š|
| 246 | F | 38 | Very low | 47.8 | Very low | 207 Ų | 207 | 129.2 Ų | 129.2 | 91% | 0.908 | 75% | 0.75 | S | S | * | * | trans | -108 | 119.6 | -174 | -78.9 | -86.6 | 0 | 0 | 0 | 113.8 | S248 | F246-S248 PolarHBondContact O-N 2.97Š| ||
| 247 | I | 46.3 | Very low | 48.9 | Very low | 168 Ų | 168 | 129 Ų | 129 | 86% | 0.862 | 74% | 0.739 | S | S | * | * | trans | -78.7 | 95.4 | 170.4 | 41.4 | 167.6 | 0 | 0 | 0 | 110.9 | ||||
| 248 | S | 41.8 | Very low | 50.2 | Low | 122 Ų | 122 | 127.1 Ų | 127.1 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -66.9 | 137.1 | 164.2 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | F246 | F246-S248 PolarHBondContact O-N 2.97Š| ||
| 249 | G | 49 | Very low | 51.7 | Low | 87 Ų | 87 | 126.6 Ų | 126.6 | 90% | 0.897 | 72% | 0.719 | S | S | * | * | trans | 99.1 | 46.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 250 | A | 44 | Very low | 52.9 | Low | 74 Ų | 74 | 126 Ų | 126 | 61% | 0.612 | 72% | 0.716 | S | S | * | * | trans | -129.6 | 126.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I252 | A250-I252 HydrophobicContact CB-CG1 4.45Å; A250-I252 PolarHBondContact O-N 3.37Å | ||
| 251 | S | 53.6 | Low | 54 | Low | 126 Ų | 126 | 119 Ų | 119 | 88% | 0.881 | 70% | 0.697 | S | S | * | * | trans | -79.4 | 65.5 | -175 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 252 | I | 58.9 | Low | 54.5 | Low | 105 Ų | 105 | 119.4 Ų | 119.4 | 54% | 0.538 | 69% | 0.693 | S | S | . | * | trans | -75.5 | 124.6 | 175.2 | -59.9 | 176.4 | 0 | 0 | 0 | 108.5 | A250 L254 K256 | A250-I252 HydrophobicContact CB-CG1 4.45Å; A250-I252 PolarHBondContact O-N 3.37Å; I252-L254 PolarHBondContact O-N 2.89Å; I252-K256 HydrophobicContact CG2-CB 3.87Å; I252-K256 HydrophobicContact CG2-CD 4.43Å | ||
| 253 | P | 72 | Confident | 55.6 | Low | 87 Ų | 87 | 121.7 Ų | 121.7 | 57% | 0.565 | 69% | 0.691 | S | S | * | * | trans | -60.7 | 137.8 | 175.2 | -23.9 | 34.7 | 0 | 0 | 0 | 111.4 | Q255 K256 | P253-Q255 PolarHBondContact O-N 3.17Å; P253-K256 WeakPolarHBondContact O-CB 3.38Å; P253-K256 PolarHBondContact O-N 2.73Å | ||
| 254 | L | 68.5 | Low | 56.5 | Low | 133 Ų | 133 | 122.3 Ų | 122.3 | 70% | 0.696 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -57 | -29.9 | -172.3 | -156.9 | 145.8 | 0 | 0 | 0 | 113.2 | I252 K256 Q257 L258 | I252-L254 PolarHBondContact O-N 2.89Å; L254-K256 VanDerWaalsContact C-N 3.34Å; L254-K256 PolarHBondContact O-N 3.32Å; L254-Q257 PolarHBondContact O-N 3.48Å; L254-L258 PolarHBondContact O-N 3.19Å; L254-L258 VanDerWaalsContact O-N 3.17Å |
| 255 | Q | 64.6 | Low | 56.8 | Low | 150 Ų | 150 | 120 Ų | 120 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -53.1 | -45.1 | 170.1 | -179.9 | 174.3 | -11.9 | 0 | 0 | 113.1 | P253 Q257 L258 E259 | P253-Q255 PolarHBondContact O-N 3.17Å; Q255-Q257 VanDerWaalsContact C-N 3.34Å; Q255-Q257 PolarHBondContact O-N 2.89Å; Q255-L258 VanDerWaalsContact O-CB 3.29Å; Q255-L258 WeakPolarHBondContact O-CB 3.31Å; Q255-L258 PolarHBondContact O-N 3.47Å; Q255-L258 VanDerWaalsContact O-N 3.14Å; Q255-E259 PolarHBondContact O-N 2.73Å; Q255-E259 VanDerWaalsContact O-N 3.13Å |
| 256 | K | 66.7 | Low | 57.2 | Low | 115 Ų | 115 | 120.6 Ų | 120.6 | 50% | 0.5 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -71 | -31.6 | -177.7 | -143.9 | -179.3 | -172.4 | -175.8 | 0 | 112.2 | I252 P253 L254 L258 E259 H260 | I252-K256 HydrophobicContact CG2-CB 3.87Å; I252-K256 HydrophobicContact CG2-CD 4.43Å; P253-K256 WeakPolarHBondContact O-CB 3.38Å; P253-K256 PolarHBondContact O-N 2.73Å; L254-K256 VanDerWaalsContact C-N 3.34Å; L254-K256 PolarHBondContact O-N 3.32Å; K256-L258 VanDerWaalsContact C-N 3.29Å; K256-E259 PolarHBondContact O-N 2.82Å; K256-H260 PolarHBondContact O-CD2 3.34Å; K256-H260 PolarHBondContact O-N 2.91Å |
| 257 | Q | 66.1 | Low | 57.7 | Low | 133 Ų | 133 | 119.7 Ų | 119.7 | 62% | 0.621 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -67.3 | -32.9 | 172.6 | -171.4 | 172.2 | -12.9 | 0 | 0 | 111.4 | L254 Q255 A261 | L254-Q257 PolarHBondContact O-N 3.48Å; Q255-Q257 VanDerWaalsContact C-N 3.34Å; Q255-Q257 PolarHBondContact O-N 2.89Å; Q257-A261 PolarHBondContact O-N 3.49Å; Q257-A261 VanDerWaalsContact O-N 3.12Å |
| 258 | L | 68.9 | Low | 57.4 | Low | 121 Ų | 121 | 118.3 Ų | 118.3 | 63% | 0.634 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68.4 | -41.6 | 173.8 | -133.7 | 72.2 | 0 | 0 | 0 | 112.4 | L254 Q255 K256 H260 A261 N262 | L254-L258 PolarHBondContact O-N 3.19Å; L254-L258 VanDerWaalsContact O-N 3.17Å; Q255-L258 VanDerWaalsContact O-CB 3.29Å; Q255-L258 WeakPolarHBondContact O-CB 3.31Å; Q255-L258 PolarHBondContact O-N 3.47Å; Q255-L258 VanDerWaalsContact O-N 3.14Å; K256-L258 VanDerWaalsContact C-N 3.29Å; L258-H260 VanDerWaalsContact C-N 3.29Å; L258-H260 PolarHBondContact O-N 2.96Å; L258-A261 PolarHBondContact O-N 2.97Å; L258-N262 PolarHBondContact O-N 3.24Å |
| 259 | E | 67.4 | Low | 57.3 | Low | 107 Ų | 107 | 120.2 Ų | 120.2 | 50% | 0.5 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -62.2 | -33.5 | 175.6 | -70.1 | 176.2 | 105 | 0 | 0 | 113.2 | Q255 K256 Q263 | Q255-E259 PolarHBondContact O-N 2.73Å; Q255-E259 VanDerWaalsContact O-N 3.13Å; K256-E259 PolarHBondContact O-N 2.82Å; E259-Q263 PolarHBondContact O-NE2 2.83Å; E259-Q263 VanDerWaalsContact O-NE2 3.07Å |
| 260 | H | 64.3 | Low | 56.9 | Low | 120 Ų | 120 | 120.3 Ų | 120.3 | 56% | 0.556 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -75.8 | -35.3 | 174.1 | -71.8 | -57.1 | 0 | 0 | 0 | 112.8 | K256 L258 | K256-H260 PolarHBondContact O-CD2 3.34Å; K256-H260 PolarHBondContact O-N 2.91Å; L258-H260 VanDerWaalsContact C-N 3.29Å; L258-H260 PolarHBondContact O-N 2.96Å |
| 261 | A | 59.1 | Low | 57 | Low | 61 Ų | 61 | 120.7 Ų | 120.7 | 50% | 0.504 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -66.8 | -42.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q257 L258 Q263 Q264 S265 | Q257-A261 PolarHBondContact O-N 3.49Å; Q257-A261 VanDerWaalsContact O-N 3.12Å; L258-A261 PolarHBondContact O-N 2.97Å; A261-Q263 VanDerWaalsContact C-N 3.26Å; A261-Q263 PolarHBondContact O-N 3.16Å; A261-Q264 PolarHBondContact O-N 3.44Å; A261-Q264 VanDerWaalsContact O-N 3.09Å; A261-S265 PolarHBondContact O-N 3.07Å |
| 262 | N | 55.8 | Low | 56.1 | Low | 121 Ų | 121 | 119.5 Ų | 119.5 | 65% | 0.647 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -64.3 | -31 | -176.9 | -152.2 | 17 | 0 | 0 | 0 | 112.4 | L258 Q264 S265 | L258-N262 PolarHBondContact O-N 3.24Å; N262-Q264 VanDerWaalsContact C-N 3.27Å; N262-Q264 PolarHBondContact O-N 3.06Å; N262-S265 PolarHBondContact O-N 2.93Å |
| 263 | Q | 59.3 | Low | 55.2 | Low | 158 Ų | 158 | 122.8 Ų | 122.8 | 74% | 0.738 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -9.8 | 176.1 | -76.2 | 175.9 | 90.5 | 0 | 0 | 115.1 | E259 A261 | E259-Q263 PolarHBondContact O-NE2 2.83Å; E259-Q263 VanDerWaalsContact O-NE2 3.07Å; A261-Q263 VanDerWaalsContact C-N 3.26Å; A261-Q263 PolarHBondContact O-N 3.16Å |
| 264 | Q | 54.9 | Low | 54.1 | Low | 182 Ų | 182 | 129.4 Ų | 129.4 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -9.3 | 169.8 | -65.3 | -163.2 | -11.5 | 0 | 0 | 113.2 | A261 N262 G266 | A261-Q264 PolarHBondContact O-N 3.44Å; A261-Q264 VanDerWaalsContact O-N 3.09Å; N262-Q264 VanDerWaalsContact C-N 3.27Å; N262-Q264 PolarHBondContact O-N 3.06Å; Q264-G266 VanDerWaalsContact C-N 3.35Å; Q264-G266 PolarHBondContact O-N 2.79Å |
| 265 | S | 49.8 | Very low | 53.1 | Low | 74 Ų | 74 | 129.1 Ų | 129.1 | 52% | 0.517 | 72% | 0.722 | S | S | . | * | trans | -81.4 | 78.2 | 175.1 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | A261 N262 F267 | A261-S265 PolarHBondContact O-N 3.07Å; N262-S265 PolarHBondContact O-N 2.93Å; S265-F267 PolarHBondContact O-N 2.92Å | ||
| 266 | G | 52.1 | Low | 52 | Low | 82 Ų | 82 | 130.6 Ų | 130.6 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | trans | -70.1 | 60 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q264 | Q264-G266 VanDerWaalsContact C-N 3.35Å; Q264-G266 PolarHBondContact O-N 2.79Å | ||
| 267 | F | 48 | Very low | 50.8 | Low | 188 Ų | 188 | 132.8 Ų | 132.8 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | -151 | 61.9 | -179.3 | -153 | -93.8 | 0 | 0 | 0 | 114.8 | S265 | S265-F267 PolarHBondContact O-N 2.92Š| ||
| 268 | T | 40.3 | Very low | 50.2 | Low | 138 Ų | 138 | 131.5 Ų | 131.5 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | -143.6 | 96.2 | 157.8 | 51.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 269 | D | 40.4 | Very low | 48.6 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | trans | 36.7 | 156.3 | 142.7 | -153.6 | 24.6 | 0 | 0 | 0 | 124.3 | ||||
| 270 | A | 41.3 | Very low | 47 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 72.4 | 127.4 | 158 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 271 | G | 45.3 | Very low | 45.6 | Very low | 82 Ų | 82 | 132 Ų | 132 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | 116.2 | 2.8 | 133.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | L273 | G271-L273 PolarHBondContact O-N 3.04Š| ||
| 272 | A | 34.7 | Very low | 44.5 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -100.5 | 80.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R274 | A272-R274 PolarHBondContact O-N 2.77Å; A272-R274 VanDerWaalsContact O-N 3.11Å | ||
| 273 | L | 40.8 | Very low | 43.8 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | -65.1 | 107 | 166.5 | -73.6 | 174.1 | 0 | 0 | 0 | 110.2 | G271 | G271-L273 PolarHBondContact O-N 3.04Š| ||
| 274 | R | 47.7 | Very low | 42.6 | Very low | 226 Ų | 226 | 134.4 Ų | 134.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -67.1 | 133.3 | 170.7 | -94.7 | -164.8 | 173.4 | -155.1 | -0.1 | 110.7 | A272 M276 | A272-R274 PolarHBondContact O-N 2.77Å; A272-R274 VanDerWaalsContact O-N 3.11Å; R274-M276 PolarHBondContact O-N 3.09Å | ||
| 275 | P | 48.3 | Very low | 41.7 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -61.5 | 119.7 | 160.1 | -18.4 | 31.7 | 0 | 0 | 0 | 109.4 | H277 | P275-H277 PolarHBondContact O-N 2.93Š| ||
| 276 | M | 41.2 | Very low | 40.9 | Very low | 181 Ų | 181 | 132.9 Ų | 132.9 | 89% | 0.892 | 81% | 0.81 | S | S | * | * | trans | -76.8 | 115.8 | 171.8 | -79.4 | -67.4 | -168.4 | 0 | 0 | 109.6 | R274 | R274-M276 PolarHBondContact O-N 3.09Š| ||
| 277 | H | 40.3 | Very low | 40.1 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 75% | 0.75 | 80% | 0.802 | S | S | * | * | trans | -86.9 | 130.3 | 171.9 | -173.9 | -83.3 | 0 | 0 | 0 | 110.1 | P275 | P275-H277 PolarHBondContact O-N 2.93Š| ||
| 278 | P | 53.5 | Low | 39.6 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | trans | -79 | 133.1 | -178 | 31.5 | -34.1 | 0 | 0 | 0 | 111.9 | ||||
| 279 | S | 35.6 | Very low | 39.5 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -159.7 | 145.6 | 157.7 | -80.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 280 | A | 35.4 | Very low | 40 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -79.7 | 164.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 281 | M | 33.2 | Very low | 39.6 | Very low | 157 Ų | 157 | 131.6 Ų | 131.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | -175.9 | 130.7 | 124.9 | -90.3 | -79.7 | 93 | 0 | 0 | 110.7 | |||||
| 282 | H | 36 | Very low | 39.6 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | 51 | 121 | 157.1 | -76.6 | -101.7 | 0 | 0 | 0 | 122.8 | ||||
| 283 | P | 41.8 | Very low | 39.5 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -84.7 | 144 | 147 | 35 | -30.2 | 0 | 0 | 0 | 111 | ||||
| 284 | S | 34.3 | Very low | 39.4 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -157.2 | 153.8 | 169.7 | -74.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 285 | A | 36.5 | Very low | 38.6 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -117.3 | 179.3 | -163.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 286 | S | 33.4 | Very low | 37.9 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | 81.1 | 147.6 | -172.8 | -35.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 287 | G | 34.2 | Very low | 37.8 | Very low | 66 Ų | 66 | 131.9 Ų | 131.9 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | cis | 159.5 | 169.2 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 288 | L | 37.6 | Very low | 37.6 | Very low | 169 Ų | 169 | 131 Ų | 131 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | trans | 76 | 89.2 | 171.2 | -49.6 | 172.1 | 0 | 0 | 0 | 118.5 | ||||
| 289 | L | 38.6 | Very low | 36.7 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | 28.8 | 158.9 | 109.8 | -63 | -178.2 | 0 | 0 | 0 | 121.1 | |||||
| 290 | P | 49.7 | Very low | 36.6 | Very low | 105 Ų | 105 | 134 Ų | 134 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | cis | -143.5 | -150.6 | -23.3 | 37.5 | -15.2 | 0 | 0 | 0 | 114.1 | ||||
| 291 | T | 34.3 | Very low | 36.5 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | 98.6 | 157.9 | 164.5 | 81.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 292 | P | 44.5 | Very low | 36.2 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | -133.2 | 152 | -97 | 30.9 | -8.9 | 0 | 0 | 0 | 116 | |||||
| 293 | M | 33.3 | Very low | 36.1 | Very low | 194 Ų | 194 | 139 Ų | 139 | 96% | 0.956 | 81% | 0.809 | S | S | * | * | trans | -127 | 152.8 | 165.9 | -76.7 | -159.9 | 73.9 | 0 | 0 | 112.8 | ||||
| 294 | V | 37.8 | Very low | 36.3 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -82.1 | 147.4 | -161.8 | 175.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 295 | Q | 30.7 | Very low | 36.3 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -95 | 121.7 | -172.9 | 170.3 | -170.6 | -17.4 | 0 | 0 | 112.2 | ||||
| 296 | I | 35.1 | Very low | 36.2 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -132.7 | 129.3 | 155.4 | -60.7 | -176.4 | 0 | 0 | 0 | 107.7 | ||||
| 297 | P | 38.9 | Very low | 36.3 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | trans | -103.9 | 155.7 | -163.3 | 38.4 | -35.5 | 0 | 0 | 0 | 115.4 | ||||
| 298 | T | 35.8 | Very low | 36.3 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -124.2 | 143 | 151.1 | 52.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 299 | A | 34.1 | Very low | 36.8 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -72.7 | 139.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 300 | K | 32.7 | Very low | 36.4 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | 50.2 | 123.4 | 81.3 | -125.3 | -168.8 | -172.9 | 76 | 0 | 110.8 | |||||
| 301 | V | 33.4 | Very low | 35.6 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | cis | -149.9 | 115.7 | 47.6 | 168.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 302 | R | 28.6 | Very low | 35.4 | Very low | 219 Ų | 219 | 145.4 Ų | 145.4 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | 52 | 97.4 | 97.8 | -170.9 | -174.6 | -175.2 | 166.6 | 3.9 | 116.2 | |||||
| 303 | L | 32.3 | Very low | 34.8 | Very low | 164 Ų | 164 | 144 Ų | 144 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | trans | -80.7 | 151.5 | 150.9 | -97.1 | 77.6 | 0 | 0 | 0 | 110.9 | ||||
| 304 | P | 47.3 | Very low | 34.8 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -105.8 | 146.2 | 152.6 | 35.4 | -26.9 | 0 | 0 | 0 | 112.5 | ||||
| 305 | H | 33.5 | Very low | 34.7 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -22.4 | 138.2 | 157.7 | -118.7 | 37.2 | 0 | 0 | 0 | 117.2 | ||||
| 306 | L | 33.8 | Very low | 34.7 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | 176.3 | 152.1 | 105.9 | -90.2 | 173.6 | 0 | 0 | 0 | 113 | |||||
| 307 | L | 36.7 | Very low | 34.7 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | 36.9 | 123.5 | 150.3 | -64.7 | 161.2 | 0 | 0 | 0 | 121.4 | ||||
| 308 | A | 33.6 | Very low | 34.4 | Very low | 90 Ų | 90 | 142.5 Ų | 142.5 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -79.1 | 160.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 309 | P | 48.3 | Very low | 34.3 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | -153.5 | 150.1 | 76.2 | 39.2 | -19.8 | 0 | 0 | 0 | 118.6 | |||||
| 310 | S | 30.7 | Very low | 34.6 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | trans | 62.5 | 156.7 | 138.7 | -159.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 311 | W | 31.3 | Very low | 35.8 | Very low | 229 Ų | 229 | 137.8 Ų | 137.8 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | 68.6 | 152.7 | 172 | -49.1 | 93.1 | 0 | 0 | 0 | 116.5 | ||||
| 312 | V | 31.1 | Very low | 36.4 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | cis | 172.4 | 119.4 | -47.5 | 147 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 313 | A | 32.1 | Very low | 36.7 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | 71.2 | 162.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 314 | S | 32.8 | Very low | 36.9 | Very low | 126 Ų | 126 | 131 Ų | 131 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | 81.2 | 115.4 | 156.4 | -57.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 315 | A | 36 | Very low | 37.3 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -109.9 | 148.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 316 | S | 30.5 | Very low | 37.9 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -144.2 | 149.8 | 177.2 | -79.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 317 | F | 35.7 | Very low | 38.2 | Very low | 206 Ų | 206 | 132.8 Ų | 132.8 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | trans | -80.9 | 158.1 | -169.3 | -73.3 | -108.2 | 0 | 0 | 0 | 116 | ||||
| 318 | Q | 32.8 | Very low | 38.2 | Very low | 191 Ų | 191 | 130.1 Ų | 130.1 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | 171.6 | 153.9 | 128.1 | -93.6 | 175.1 | -2.2 | 0 | 0 | 109.8 | |||||
| 319 | S | 32.4 | Very low | 38.6 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | cis | -160.8 | 165.4 | -17.3 | 51 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 320 | S | 40 | Very low | 38.4 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -88.1 | -159.5 | 174.5 | -147.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 321 | P | 59.3 | Low | 38.9 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | cis | -102.6 | -166.5 | 16.9 | 45.5 | -39.5 | 0 | 0 | 0 | 112.1 | ||||
| 322 | Q | 44.8 | Very low | 39.2 | Very low | 188 Ų | 188 | 136.9 Ų | 136.9 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | cis | -156.7 | -175.7 | -12.5 | -128 | 174.6 | 26.6 | 0 | 0 | 107 | ||||
| 323 | G | 36 | Very low | 39.5 | Very low | 69 Ų | 69 | 134.6 Ų | 134.6 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | cis | -169.6 | 166.5 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 324 | A | 36.2 | Very low | 39.9 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -139.5 | 161.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 325 | P | 56.3 | Low | 40.4 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | -148.5 | 163.2 | 122.6 | 35.3 | -18.3 | 0 | 0 | 0 | 114.8 | |||||
| 326 | R | 45.5 | Very low | 40.6 | Very low | 204 Ų | 204 | 137.7 Ų | 137.7 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | cis | -171.4 | 146.3 | -14.6 | -110.1 | 177.2 | 148.8 | -172.8 | -6.3 | 110.8 | ||||
| 327 | H | 40.6 | Very low | 41.3 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | trans | 58.9 | 154.2 | 141.2 | -61.3 | -29.4 | 0 | 0 | 0 | 121.4 | ||||
| 328 | S | 35.7 | Very low | 41.9 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | cis | -164.8 | 156.2 | -18.5 | -96.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 329 | F | 41.9 | Very low | 42.8 | Very low | 209 Ų | 209 | 137.6 Ų | 137.6 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | trans | -83.8 | 153.1 | 164.1 | -77.6 | -92.1 | 0 | 0 | 0 | 111.6 | ||||
| 330 | L | 44.6 | Very low | 43.3 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | -143.2 | 151.3 | 169.8 | -146 | 77.2 | 0 | 0 | 0 | 109.7 | ||||
| 331 | A | 40.5 | Very low | 43.7 | Very low | 90 Ų | 90 | 142.3 Ų | 142.3 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | -149.6 | 155.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 332 | H | 37.5 | Very low | 43.2 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 88% | 0.884 | 76% | 0.764 | S | S | * | * | trans | 67.8 | 149.2 | -180 | -106.1 | 48.3 | 0 | 0 | 0 | 115 | ||||
| 333 | S | 38.1 | Very low | 43 | Very low | 74 Ų | 74 | 140.9 Ų | 140.9 | 52% | 0.517 | 76% | 0.761 | S | S | . | * | cis | -159.3 | 166.8 | -1.1 | 73.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 334 | Q | 40.5 | Very low | 43.4 | Very low | 189 Ų | 189 | 150.5 Ų | 150.5 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | 65.6 | 153.9 | 167.3 | -58.7 | -177.7 | 53.1 | 0 | 0 | 115.9 | ||||
| 335 | S | 42.8 | Very low | 43.8 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | cis | -133.6 | 173.4 | 10.9 | 56.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 336 | G | 40 | Very low | 43.1 | Very low | 71 Ų | 71 | 154.8 Ų | 154.8 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -113.8 | 162.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 337 | Q | 46.1 | Very low | 43 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -138.5 | 150.7 | 148.8 | -96.6 | -59.2 | -1.5 | 0 | 0 | 111.1 | ||||
| 338 | R | 49.2 | Very low | 43.1 | Very low | 175 Ų | 175 | 152.6 Ų | 152.6 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | -107.9 | 122.2 | 178.5 | -58.3 | 169.1 | 80.6 | -130.3 | 7.6 | 108.6 | Y340 | R338-Y340 PolarHBondContact NH2-OH 2.93Š| ||
| 339 | F | 51.2 | Low | 43.6 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 77% | 0.772 | 79% | 0.794 | S | S | * | * | trans | -125.9 | 119.5 | 163.8 | -91 | -83.4 | 0 | 0 | 0 | 111.2 | ||||
| 340 | Y | 43.2 | Very low | 43.7 | Very low | 137 Ų | 137 | 152.3 Ų | 152.3 | 54% | 0.537 | 79% | 0.786 | S | S | . | * | trans | -88.7 | 139.3 | 168.7 | -75.5 | -108 | 0 | 0 | 0 | 108.7 | R338 H342 | R338-Y340 PolarHBondContact NH2-OH 2.93Å; Y340-H342 AromaticContact CD1-CD2 3.93Å; Y340-H342 AromaticContact CD1-NE2 3.44Å; Y340-H342 WeakPolarHBondContact CD1-NE2 3.44Å; Y340-H342 AromaticContact CE1-NE2 3.85Å | ||
| 341 | H | 48.5 | Very low | 43.6 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -127.3 | 91.3 | 157 | -76.4 | -76.4 | 0 | 0 | 0 | 109.7 | ||||
| 342 | H | 47.9 | Very low | 43.9 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -93.2 | 126.8 | 157.9 | -58.7 | -56.2 | 0 | 0 | 0 | 108.2 | Y340 | Y340-H342 AromaticContact CD1-CD2 3.93Å; Y340-H342 AromaticContact CD1-NE2 3.44Å; Y340-H342 WeakPolarHBondContact CD1-NE2 3.44Å; Y340-H342 AromaticContact CE1-NE2 3.85Å | ||
| 343 | S | 40.1 | Very low | 44.4 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 166.6 | 139.2 | 158.9 | -84.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 344 | K | 45.6 | Very low | 45 | Very low | 271 Ų | 271 | 159.5 Ų | 159.5 | 100% | 1.178 | 79% | 0.793 | S | S | * | * | cis | -155.6 | 0 | -9.2 | -144.6 | 176.3 | -177.2 | -179.9 | 0 | 110.3 |
Retrieved 344 of 344 residues in 124.6 ms
(Link to these results)